SCHEMBL454694

SCHEMBL454694

Fc1[c]cc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KIF11 P52732 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MGLL Q99685 1/20 0.34
CYP2E1 P05181 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
SCHEMBL15063789 0.83 BCL2L1 (0.38) BCL2L1CA1CA2NOTUMCA9
SCHEMBL15063752 0.79 ACHE (0.40) KIF11HSD17B10TDP1PTGS1MAPT
SCHEMBL457983 0.79 ALDH1A1 (0.42) ALDH1A1MAPK1CA2CYP2A6CA12
SCHEMBL456093 0.79 CYP1A2 (0.42) KIF11CYP1A2HSD17B10LMNATSHR
SCHEMBL15063579 0.79
SCHEMBL454698 0.79 TAAR1 (0.52) TAAR1CYP3A4NOTUMCA12CA9
SCHEMBL15063863 0.77 METAP2 (0.36) TAAR1CYP3A4
SCHEMBL15063841 0.76 KIF11 (0.50) KIF11CA1CA2NOTUM
SCHEMBL456835 0.76 PTPRC (0.43) ALDH1A1MAPK1NOTUMMAPTSMN1; SMN2
SCHEMBL456827 0.76 ALOX5 (0.47) TAAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP claimed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US claimed
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN claimed
EP-3901147-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-10-27 EP claimed
CN-113166116-A Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2021-07-23 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-3134079-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX Discovery, Inc. (US) 2017-03-01 EP claimed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US claimed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 WO claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
CN-102459167-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP ALDH1A1 779/4885KIF11 3934/4885TAAR1 2147/4885
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF RIPK1, RIPK3, RIPK4 ALDH1A1 4164/4885KIF11 3203/4885TAAR1 2621/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885KIF11 4060/4885TAAR1 2055/4885
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 ALDH1A1 2980/4885KIF11 3611/4885TAAR1 803/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885KIF11 4060/4885TAAR1 2055/4885

“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.