SCHEMBL383244

SCHEMBL383244

COC(=O)C[C@H]1CC[C@H](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
SCHEMBL383245 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
WO-2013068439-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5, 4 -F] [1, 4] OXAZEPINE COMPOUNDS AS DGAT1 INHIBITORS INTERVET INTERNATIONAL B.V. (NL) 2013-05-16 WO disclosed
WO-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 WO disclosed
WO-2012112364-A1 LACTAM DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-23 WO 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
EP-2185567-B1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER PROD INC (US) 2011-03-23 EP disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
US-7718645-B2 Substituted bicyclolactam compounds PFIZER INC. (US) 2010-05-18 US disclosed
US-7718645-B2 Substituted bicyclolactam compounds PFIZER INC. (US) 2010-05-18 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
US-20090137551-A1 Substituted Bicyclolactam Compounds PFIZER INC 2009-05-28 US disclosed
US-20090137551-A1 Substituted Bicyclolactam Compounds PFIZER INC 2009-05-28 US disclosed
WO-2009016462-A2 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2009-02-05 WO disclosed
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER INC 2009-02-05 US disclosed
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER INC 2009-02-05 US disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 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 (3 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-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 DRD2 2360/4885DRD3 1723/4885DRD1 1388/4885
US-20090137551-A1 Substituted Bicyclolactam Compounds CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 DRD2 427/4885DRD3 666/4885DRD1 605/4885
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 DRD2 427/4885DRD3 666/4885DRD1 605/4885

“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.