SCHEMBL277073

SCHEMBL277073

CCOC(=O)C(=O)C(C)C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
ATM Q13315 1/20 0.51
GLO1 Q04760 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SLC6A2 P23975 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL30770327 0.81 CES2 (0.66) GAAATMGLO1ALDH1A1KMT2A
SCHEMBL9062780 0.81 CES2 (0.66) GAAATMGLO1ALDH1A1KMT2A
SCHEMBL2200457 0.80 CHRNA1 (0.47) ALDH1A1SLC6A2CHRNB4CHRNA3SLC6A3
SCHEMBL21200831 0.80 GLO1 (0.56) GAAATMGLO1ALDH1A1KMT2A
SCHEMBL11361315 0.80 ATM (0.53) GAAATMGLO1ALDH1A1SLC6A2
SCHEMBL6659591 0.79 GAA (0.65) GAAATMGLO1ALDH1A1KMT2A
SCHEMBL6834439 0.79 GAA (0.65) GAAATMGLO1ALDH1A1KMT2A
SCHEMBL6659596 0.79 GAA (0.65) GAAATMGLO1ALDH1A1KMT2A
SCHEMBL15309727 0.79 ATM (0.64) GAAATMALDH1A1SLC6A2CHRNB4
SCHEMBL3388760 0.78 NPC1 (0.62) GAAALDH1A1KMT2AMEN1HTT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
WO-2009033125-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 WO disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
WO-2007106721-A2 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-09-20 WO disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 GAA 3803/4885ATM 3260/4885GLO1 2471/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 GAA 3803/4885ATM 3260/4885GLO1 2471/4885
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction CNR2, CNR1, GPR119 GAA 3821/4885ATM 3198/4885GLO1 1842/4885

“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.