SCHEMBL10132316

SCHEMBL10132316

CC1(C)OB(c2ccc(-c3cnc([C@@H]4C[C@H]5CC5N4C(=O)OCc4ccccc4)[nH]3)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HTR2C P28335 1/20 0.37
PRCP P42785 7/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 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
SCHEMBL14930022 1.00 DGAT1 (0.42) DGAT1NR1H2NR1H3HTR2CPRCP
SCHEMBL825048 1.00 DGAT1 (0.42) DGAT1NR1H2NR1H3HTR2CPRCP
SCHEMBL13145270 0.89 DGAT1 (0.42) DGAT1NR1H2NR1H3HTR2CPRCP
SCHEMBL1293758 0.86 LIPG (0.36) DGAT1PRCPLIPGLPL
SCHEMBL1294311 0.84 USP30 (0.41) DGAT1PRCP
SCHEMBL20484364 0.84 USP30 (0.41) DGAT1PRCP
SCHEMBL1294312 0.84 USP30 (0.41) DGAT1PRCP
SCHEMBL19488464 0.84 USP30 (0.41) DGAT1PRCP
SCHEMBL15773714 0.84 USP30 (0.41) DGAT1PRCP
SCHEMBL20484365 0.84 USP30 (0.41) DGAT1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143301-B2 Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 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-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS DGAT1 811/4885NR1H2 156/4885NR1H3 76/4885

“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.