SCHEMBL3042239

SCHEMBL3042239

Cc1cccc(C2CC2C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.65
LPAR2 Q9HBW0 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
IDO1 P14902 1/20 0.48
GPR88 Q9GZN0 1/20 0.46
HDAC4 P56524 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
SLC9A1 P19634 1/20 0.43
MEN1 O00255 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
SCHEMBL7868650 1.00 FFAR1 (0.65) FFAR1LPAR2HTR2AHTR2CSLC6A4
SCHEMBL23116570 1.00 FFAR1 (0.65) FFAR1LPAR2HTR2AHTR2CSLC6A4
SCHEMBL10288305 1.00 FFAR1 (0.65) FFAR1LPAR2HTR2AHTR2CSLC6A4
SCHEMBL21501054 1.00 FFAR1 (0.65) FFAR1LPAR2HTR2AHTR2CSLC6A4
SCHEMBL16232156 0.86 FFAR1 (0.50) FFAR1LPAR2HTR2AHTR2CSLC6A4
SCHEMBL29303274 0.85 HTR2A (0.51) FFAR1LPAR2HTR2AHTR2CSLC6A4
SCHEMBL12087471 0.83 FFAR1 (0.65) FFAR1IDO1GPR88ALDH1A1LMNA
SCHEMBL7002531 0.82 FFAR1 (0.56) FFAR1IDO1HDAC4ALDH1A1LMNA
SCHEMBL7002528 0.82 FFAR1 (0.56) FFAR1IDO1HDAC4ALDH1A1LMNA
SCHEMBL1817810 0.81 ROCK2 (0.49) FFAR1LPAR2HTR2AHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US claimed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US claimed
EP-2742029-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS Merck Patent GmbH (DE) 2014-06-18 EP claimed
WO-2013020622-A1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2013-02-14 WO claimed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
WO-2019204477-A1 PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2019-10-24 WO disclosed
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 US disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-0996621-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-05-03 EP disclosed
WO-1999005143-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-02-04 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 (8 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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 FFAR1 85/4885LPAR2 2/4885HTR2A 2304/4885
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG FFAR1 4727/4885LPAR2 3703/4885HTR2A 4578/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H FFAR1 1439/4885LPAR2 1998/4885HTR2A 1507/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3294/4885LPAR2 3277/4885HTR2A 3366/4885
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NOS1, NOS2, NOS3 FFAR1 971/4885LPAR2 1356/4885HTR2A 1266/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 FFAR1 63/4885LPAR2 54/4885HTR2A 752/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 FFAR1 63/4885LPAR2 54/4885HTR2A 752/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3410/4885LPAR2 3374/4885HTR2A 3436/4885

“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.