SCHEMBL382897

SCHEMBL382897

COC(=O)C[C@H]1CC[C@H](c2ccc(O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.56
ESR1 P03372 6/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2D6 P10635 1/20 0.50
DGAT1 O75907 1/20 0.47
HDAC2 Q92769 1/20 0.44
MIF P14174 4/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL382898 1.00 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL17327330 1.00 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL10197496 0.88 DGAT1 (0.47) ESR2ESR1CYP3A4CYP2C9DGAT1
SCHEMBL16969312 0.87 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL4673308 0.86 DGAT1 (0.46) ESR2ESR1CYP3A4CYP2C9DGAT1
SCHEMBL18763690 0.86 DGAT1 (0.51) DGAT1MIFALDH1A1LMNAMAPT
SCHEMBL28817040 0.86 IDO1 (0.56) DGAT1MAPT
SCHEMBL17327303 0.86 DGAT1 (0.51) DGAT1MIFALDH1A1LMNAMAPT
SCHEMBL1399745 0.86 DGAT1 (0.51) ESR2ESR1CYP3A4CYP2C9DGAT1
SCHEMBL28102452 0.86 DGAT1 (0.46) ESR2ESR1CYP3A4CYP2C9DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
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-2012122075-A1 LACTAM DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-09-13 WO disclosed
WO-2012112364-A1 LACTAM DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-23 WO disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
EP-2408744-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
EP-2035417-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES AstraZeneca AB (SE) 2009-03-18 EP disclosed
EP-2032546-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Astra Zeneca AB (SE) 2009-03-11 EP disclosed
WO-2008129319-A1 SALTS OF OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141538-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY 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 (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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ESR2 3064/4885ESR1 4104/4885CYP3A4 1304/4885
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR ESR2 1708/4885ESR1 1422/4885CYP3A4 43/4885
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 ESR2 3249/4885ESR1 3803/4885CYP3A4 512/4885
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY DGAT1, ACAT1, DGAT2 ESR2 1636/4885ESR1 2281/4885CYP3A4 932/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ESR2 3055/4885ESR1 4117/4885CYP3A4 1307/4885

“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.