SCHEMBL411370

SCHEMBL411370

Brc1ccc(CCC2CO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
HTR2A P28223 1/20 0.45
ALOX5 P09917 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
DRD4 P21917 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL19582798 1.00 TAAR1 (0.45) TAAR1HTR2AALOX5MEN1KMT2A
SCHEMBL17593201 1.00 TAAR1 (0.45) TAAR1HTR2AALOX5MEN1KMT2A
SCHEMBL8804536 0.79 TAAR1 (0.45) TAAR1ALOX5MEN1KMT2ASLC6A2
SCHEMBL8803172 0.79 DRD4 (0.50) TAAR1ALOX5MEN1KMT2ASLC6A2
SCHEMBL14524332 0.79 ALOX5 (0.46) ALOX5MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8804326 0.79 CYP1A2 (0.45) TAAR1ALOX5MEN1KMT2ASLC6A2
SCHEMBL8804583 0.79 DRD4 (0.51) TAAR1ALOX5MEN1KMT2ASLC6A2
SCHEMBL19321713 0.79 CYP1A2 (0.45) TAAR1ALOX5MEN1KMT2ASLC6A2
SCHEMBL24137898 0.78 MEN1 (0.62) TAAR1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL11477197 0.78 MAPT (0.43) TAAR1HTR2AMAPTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP claimed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO claimed
EP-3191453-B1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
EP-3191453-B1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators BRISTOL=MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-11-08 US disclosed
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
EP-3191453-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040225-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 WO disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 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 (5 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-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TAAR1 2422/4885HTR2A 1763/4885ALOX5 85/4885
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 TAAR1 150/4885HTR2A 285/4885ALOX5 900/4885
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 TAAR1 150/4885HTR2A 285/4885ALOX5 900/4885
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators GPR88, GPR55, GPR180 TAAR1 150/4885HTR2A 285/4885ALOX5 900/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TAAR1 2611/4885HTR2A 1652/4885ALOX5 102/4885

“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.