SCHEMBL455245

SCHEMBL455245

O=C(O)C1CC1c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.59
KDM1A O60341 5/20 0.50
HRH3 Q9Y5N1 2/20 0.50
KCNH2 Q12809 2/20 0.50
MAOB P27338 2/20 0.50
RCOR1 Q9UKL0 2/20 0.50
HDAC4 P56524 1/20 0.50
KDM1B Q8NB78 1/20 0.50
ALDH1A1 P00352 1/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
AGTR2 P50052 1/20 0.43

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
SCHEMBL4719284 1.00 FFAR1 (0.59) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL799467 1.00 FFAR1 (0.59) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL806142 1.00 FFAR1 (0.59) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL455246 1.00 FFAR1 (0.59) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL437376 1.00 FFAR1 (0.59) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL21501045 1.00 FFAR1 (0.59) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL24890441 0.84 KDM1A (0.50) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL799464 0.82 HRH3 (0.49) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL4133964 0.82 KDM1A (0.53) FFAR1KDM1AHRH3KCNH2MAOB
SCHEMBL4133967 0.82 KDM1A (0.53) FFAR1KDM1AHRH3KCNH2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US claimed
WO-2012037258-A1 PROCESSES FOR PREPARING 1,2-SUBSTITUTED CYCLOPROPYL DERIVATIVES ABBOTT LABORATORIES (US) 2012-03-22 WO claimed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
EP-3495349-B1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2023-06-28 EP disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 US disclosed
EP-4074695-A1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS Oryzon Genomics, S.A. (ES) 2022-10-19 EP disclosed
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 EP disclosed
CN-107266345-B (hetero) arylcyclopropylamine compounds as LSD1 inhibitors 奥瑞泽恩基因组学股份有限公司 2021-08-17 CN disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 EP disclosed
WO-2006087169-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-08-24 WO disclosed
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-03-16 US disclosed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP disclosed
CN-1738819-A 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2006-02-22 CN disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 US disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 FFAR1 61/4885KDM1A 2361/4885HRH3 478/4885
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG FFAR1 4727/4885KDM1A 1679/4885HRH3 2152/4885
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H FFAR1 1708/4885KDM1A 2605/4885HRH3 777/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 FFAR1 1881/4885KDM1A 3740/4885HRH3 222/4885
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 FFAR1 211/4885KDM1A 1116/4885HRH3 1/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 FFAR1 56/4885KDM1A 2609/4885HRH3 511/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 FFAR1 962/4885KDM1A 576/4885HRH3 1139/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 FFAR1 1062/4885KDM1A 266/4885HRH3 1285/4885

“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.