SCHEMBL383245

SCHEMBL383245

COC(=O)CC1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
DGAT1 O75907 8/20 0.44
CXCR2 P25025 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
HTR1D P28221 1/20 0.38
CXCR1 P25024 1/20 0.38
IDO1 P14902 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
SCHEMBL383244 1.00 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL17327306 1.00 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2258306 0.90 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2258302 0.90 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16969287 0.90 DRD3 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16762854 0.89 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5531169 0.89 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4334143 0.89 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2258441 0.88 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL899642 0.88 DRD2 (0.49) DRD2DRD3DRD1DRD4DRD5

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
EP-3151820-A1 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-04-12 EP disclosed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 US disclosed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 US disclosed
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 WO disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 US disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 US disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 EP disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 EP disclosed
WO-2012112364-A1 LACTAM DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-23 WO disclosed
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
EP-2408744-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
US-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 US disclosed
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 US disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 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 (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-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT DGAT1, GOT1, ACAT2 DRD2 4250/4885DRD3 3962/4885DRD1 3014/4885
US-20100197590-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CYP3A7, QDPR, DHFR DRD2 165/4885DRD3 140/4885DRD1 139/4885
US-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT DRD2 2086/4885DRD3 2070/4885DRD1 2796/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT DRD2 2086/4885DRD3 2070/4885DRD1 2796/4885
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles PC, HCCS, MYC DRD2 4707/4885DRD3 4646/4885DRD1 4547/4885

“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.