SCHEMBL761393

SCHEMBL761393

[C-]#[N+]c1ccc(C(=O)C(=C)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 12/20 0.48
CES1 P23141 11/20 0.48
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
EGFR P00533 2/20 0.39
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DAO P14920 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10476789 0.84 CES2 (0.67) CES2CES1MAPTLMNANPSR1
SCHEMBL761381 0.82 CES2 (0.65) CES2CES1MAPTLMNANPSR1
SCHEMBL29352153 0.79 ALDH1A1 (0.61) CES2CES1MAPTLMNASMN1; SMN2
SCHEMBL11682716 0.77 CES2 (0.72) CES2CES1MAPTLMNANPSR1
SCHEMBL29147820 0.77 CES2 (0.56) CES2CES1MAPTLMNANPSR1
SCHEMBL31478261 0.76 CES2 (0.58) CES2CES1MAPTLMNANPSR1
SCHEMBL28735064 0.76 CES2 (0.73) CES2CES1MAPTLMNANPSR1
SCHEMBL28735145 0.76 CES2 (0.58) CES2CES1MAPTLMNANPSR1
SCHEMBL198842 0.76 CES2 (0.73) CES2CES1MAPTLMNANPSR1
SCHEMBL28735070 0.76 CES2 (0.73) CES2CES1MAPTLMNANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150157605-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY, INC. 2015-06-11 US disclosed
US-8853252-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2014-10-07 US disclosed
US-8648072-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2014-02-11 US disclosed
US-8580768-B2 Cannabinoid receptor antagonists-inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2013-11-12 US disclosed
US-20130005784-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2013-01-03 US disclosed
US-20120264754-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2012-10-18 US disclosed
US-20120264797-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2012-10-18 US disclosed
US-8217038-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2012-07-10 US disclosed
US-20120157414-A1 CANNABINOID RECEPTOR ANTAGONISTS-INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2012-06-21 US disclosed
US-8138216-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-8088809-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2012-01-03 US disclosed
US-20110257178-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2011-10-20 US disclosed
US-20100152260-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2010-06-17 US disclosed
US-20100105751-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2010-04-29 US disclosed
US-7666889-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2010-02-23 US disclosed
US-7655685-B2 Cardiometabolic disorders like obesity, diabetes, hypertension and dyslipidemias, 3, 4-diarylpyrazole derivatives; highly selective; limited or no CNS adverse side effects, including mood disorders JENRIN DISCOVERY, INC. (US) 2010-02-02 US disclosed
US-20090118345-A1 Cardiometabolic disorders like obesity, diabetes, hypertension and dyslipidemias, 3, 4-diarylpyrazole derivatives; highly selective; limited or no CNS adverse side effects, including mood disorders JENRIN DISCOVERY (US) 2009-05-07 US disclosed
US-20090036511-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2009-02-05 US disclosed
US-7482470-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2009-01-27 US disclosed
US-20070259934-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2007-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130005784-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 864/4885CES1 234/4885MAPT 4129/4885
US-20090118345-A1 Cardiometabolic disorders like obesity, diabetes, hypertension and dyslipidemias, 3, 4-diarylpyrazole derivatives; highly selective; limited or no CNS adverse side effects, including mood disorders CNR2, CNR1, GPR119 CES2 329/4885CES1 18/4885MAPT 2483/4885
US-20120264754-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 1221/4885CES1 157/4885MAPT 4195/4885
US-20070259934-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 864/4885CES1 234/4885MAPT 4129/4885
US-20100105751-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 667/4885CES1 91/4885MAPT 4019/4885
US-20120264797-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 667/4885CES1 91/4885MAPT 4019/4885
US-20090036511-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 864/4885CES1 234/4885MAPT 4129/4885
US-20120157414-A1 CANNABINOID RECEPTOR ANTAGONISTS-INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 1204/4885CES1 157/4885MAPT 4258/4885
US-20100152260-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 864/4885CES1 234/4885MAPT 4129/4885
US-20150157605-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 667/4885CES1 91/4885MAPT 4019/4885
US-20110257178-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CES2 1221/4885CES1 157/4885MAPT 4195/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.