SCHEMBL248652

SCHEMBL248652

C=CCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 3/20 0.47
PNMT P11086 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ALDH1A1 P00352 1/20 0.41
DAO P14920 2/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL8076090 0.88 TAAR1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL30462202 0.88 TAAR1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL248775 0.86 TAAR1 (0.48) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL8071303 0.84 TAAR1 (0.47) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL8076546 0.84 TAAR1 (0.47) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL8072572 0.84 TAAR1 (0.47) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL8062063 0.84 TAAR1 (0.47) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL19999812 0.80 TAAR1 (0.40) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL31297415 0.78 ALDH1A1 (0.35) TAAR1ALDH1A1
SCHEMBL1338205 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
EP-2970112-A1 PHENYL CARBAMATE COMPOUND AND A COMPOSITION FOR PREVENTING OR TREATING A MEMORY LOSS-RELATED DISEASE COMPRISING THE SAME Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
EP-2968213-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING A MOVEMENT DISORDER Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
EP-2968210-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING PEDIATRIC EPILESY AND EPILESY-RELATED SYNDROMES Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
EP-2970111-A1 PHENYL CARBAMATE COMPOUND AND A COMPOSITION FOR PREVENTING OR TREATING A NERVE GAS-INDUCED DISEASE COMPRISING THE SAME Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
EP-2970109-A1 PHENYL CARBAMATE COMPOUND AND A COMPOSITION FOR NEUROPROTECTION COMPRISING THE SAME Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
EP-2968212-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
EP-2970110-A1 PHENYL CARBAMATE COMPOUND AND A COMPOSITION FOR PREVENTING OR TREATING A PSYCHIATRIC DISORDER COMPRISING THE SAME Bio-Pharm Solutions Co., Ltd. (KR) 2016-01-20 EP disclosed
EP-2797877-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING MULTIPLE SCLEROSIS Bio-Pharm Solutions Co., Ltd. (KR) 2014-11-05 EP disclosed
EP-2797880-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILESY Bio-Pharm Solutions Co., Ltd. (KR) 2014-11-05 EP disclosed
WO-2013100566-A1 Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed
WO-2013100571-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING ALS BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed
WO-2013100569-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING MULTIPLE SCLEROSIS BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed
EP-2590936-A2 PHENYLCARBAMATE COMPOUND AND MUSCLE RELAXANT CONTAINING THE SAME Bio-Pharm Solutions Co., Ltd. (KR) 2013-05-15 EP disclosed
WO-2012096458-A2 PROCESS FOR PREPARATION OF PHENYL CARBAMATE DERIVATIVES BIO-PHARM SOLUTIONS CO., LTD. (KR) 2012-07-19 WO disclosed
WO-2012002773-A2 PHENYLCARBAMATE COMPOUND AND MUSCLE RELAXANT CONTAINING THE SAME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2012-01-05 WO disclosed
EP-0637580-B1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed