SCHEMBL136961

SCHEMBL136961

CC(=O)c1cc(C)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.47
CSNK2A1 P68400 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP2A6 P11509 1/20 0.42
F10 P00742 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MYC P01106 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
MEN1 O00255 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL30844550 1.00 F2R (0.47) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL27992485 0.84 MAPT (0.49) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL500361 0.83 CSNK2A1 (0.61) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL1329346 0.83 CYP2A6 (0.42) CSNK2A1NPC1MAPTMAPK1HTT
SCHEMBL16950492 0.82 CSNK2A1 (0.39) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL13254950 0.81 MAPT (0.46) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL11731746 0.81 CSNK2A1 (0.44) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL3735051 0.81 CSNK2A1 (0.44) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL16170239 0.80 F2R (0.43) F2RCSNK2A1NPC1MAPTMAPK1
SCHEMBL1310573 0.80 MAPT (0.51) NPC1MAPTMAPK1HTTKDM4E

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
US-20240368123-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-11-07 US disclosed
EP-4393920-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
CN-117836294-A Biological antagonist containing aromatic ring, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-04-05 CN disclosed
WO-2023025277-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-03-02 WO disclosed
WO-2023025277-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-03-02 WO disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 US disclosed
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (7 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 F2R 153/4885CSNK2A1 2103/4885NPC1 1661/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 F2R 153/4885CSNK2A1 2103/4885NPC1 1661/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 F2R 93/4885CSNK2A1 3089/4885NPC1 1785/4885
US-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 F2R 1418/4885CSNK2A1 1105/4885NPC1 2984/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 F2R 1418/4885CSNK2A1 1105/4885NPC1 2984/4885
US-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 F2R 651/4885CSNK2A1 721/4885NPC1 837/4885
US-20240368123-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF REN, BDKRB2, BDKRB1 F2R 701/4885CSNK2A1 2727/4885NPC1 3211/4885

“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.