SCHEMBL171875

SCHEMBL171875

Cc1ccc(C2(C(N)=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HSD11B1 P28845 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
OPRM1 P35372 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 1/20 0.40
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
OPRL1 P41146 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL435506 0.98 OPRM1 (0.46) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL6202789 0.92 LMNA (0.57) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL14161396 0.92 LMNA (0.53) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL4992446 0.90 LMNA (0.59) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL8636887 0.87 OPRM1 (0.48) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL3416397 0.87 LMNA (0.55) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8350118 0.86 OPRM1 (0.47) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL351393 0.81 AKR1C1 (0.55) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL518528 0.81 ESR2 (0.45) LMNAHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL5379326 0.81 HSD11B1 (0.45) LMNAHSD11B1CYP3A4CYP2D6CYP2C9

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105254557-A ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC 2016-01-20 CN claimed
CN-105130957-A ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC 2015-12-09 CN claimed
CN-103429079-A Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION INC 2013-12-04 CN claimed
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US disclosed
CN-110709085-A Compounds and methods for treating visceral pain 艾尼纳制药公司 2020-01-17 CN disclosed
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2018-12-13 US disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
EP-2491028-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
CN-102083432-A Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI AVENTIS 2011-06-01 CN disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO 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 (10 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 LMNA 1260/4885HSD11B1 3497/4885CYP3A4 2898/4885
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 LMNA 3040/4885HSD11B1 716/4885CYP3A4 3301/4885
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 LMNA 1260/4885HSD11B1 3497/4885CYP3A4 2898/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 LMNA 3831/4885HSD11B1 2607/4885CYP3A4 1637/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 LMNA 1260/4885HSD11B1 3497/4885CYP3A4 2898/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 LMNA 1260/4885HSD11B1 3497/4885CYP3A4 2898/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 LMNA 3040/4885HSD11B1 716/4885CYP3A4 3301/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 LMNA 1260/4885HSD11B1 3497/4885CYP3A4 2898/4885
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 LMNA 457/4885HSD11B1 334/4885CYP3A4 1503/4885
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 LMNA 4244/4885HSD11B1 2249/4885CYP3A4 874/4885

“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.