SCHEMBL198110

SCHEMBL198110

C=C(C(=O)c1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CES2 O00748 6/20 0.48
CES1 P23141 5/20 0.48
TSHR P16473 1/20 0.45
GSK3B P49841 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 1/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6413833 0.87 CES2 (0.65) ALDH1A1KMT2AATMKDM4EPKM
SCHEMBL10476789 0.84 CES2 (0.67) ALDH1A1ATMLMNAMAPTCES2
SCHEMBL761381 0.82 CES2 (0.65) ALDH1A1ATMLMNAMAPTL3MBTL1
SCHEMBL8608590 0.81 CA2 (0.55) ALDH1A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL3215328 0.79 ALDH1A1 (0.61) ALDH1A1KMT2AATMKDM4EPKM
SCHEMBL4357019 0.79 TSHR (0.54) ALDH1A1KMT2AATMKDM4EPKM
SCHEMBL3753847 0.78 CA2 (0.67) ALDH1A1KMT2AATMKDM4EPKM
SCHEMBL31478144 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AATMKDM4EPKM
SCHEMBL29147820 0.77 CES2 (0.56) KMT2AATMLMNAMAPTL3MBTL1
SCHEMBL11682716 0.77 CES2 (0.72) ALDH1A1KMT2AATMPKMLMNA

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 54 patents — showing the first 20. 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-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-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-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
EP-2203061-B1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2013-12-18 EP 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-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
EP-2640381-A2 CANNABINOID RECEPTOR ANTAGONISTS-INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES Jenrin Discovery (US) 2013-09-25 EP disclosed
WO-2009059264-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2009-05-07 WO disclosed
EP-2023920-A2 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS Jenrin Discovery (US) 2009-02-18 EP 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-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-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
WO-2007131219-A2 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS JENRIN DISCOVERY (US) 2007-11-15 WO disclosed
WO-2007131219-A2 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS JENRIN DISCOVERY (US) 2007-11-15 WO 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
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 (3 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-20070259934-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 ALDH1A1 3617/4885KMT2A 2504/4885ATM 3162/4885
US-20090036511-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 ALDH1A1 3617/4885KMT2A 2504/4885ATM 3162/4885
US-20150157605-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 ALDH1A1 3303/4885KMT2A 2724/4885ATM 3459/4885

“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.