SCHEMBL3202568

SCHEMBL3202568

CC(C)(C)NC(=O)N1CCCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.73
SOAT2 O75908 1/20 0.52
SOAT1 P35610 1/20 0.52

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
SCHEMBL3265785 0.90 DGAT1 (0.77) DGAT1SOAT2SOAT1
SCHEMBL3205296 0.88 DGAT1 (0.80) DGAT1SOAT2SOAT1
SCHEMBL595480 0.87 DGAT1 (0.77) DGAT1SOAT2SOAT1
SCHEMBL3194501 0.86 DGAT1 (0.70) DGAT1SOAT2SOAT1
SCHEMBL3205675 0.86 DGAT1 (0.80) DGAT1
SCHEMBL3634010 0.86 DGAT1 (0.83) DGAT1SOAT2SOAT1
SCHEMBL10262363 0.86 DGAT1 (0.93) DGAT1SOAT2SOAT1
Hydrochloric Acid SCHEMBL3204028 0.86 DGAT1 (0.69) DGAT1SOAT2SOAT1
SCHEMBL594637 0.86 DGAT1 (0.77) DGAT1SOAT2SOAT1
SCHEMBL596502 0.85 DGAT1 (1.00) DGAT1SOAT2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
WO-2010017040-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC (US) 2010-02-11 WO claimed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 US claimed
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
WO-2010017040-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC (US) 2010-02-11 WO disclosed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 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 (1 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-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT DGAT1 2/4885SOAT2 14/4885SOAT1 15/4885

“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.