SCHEMBL10150964

SCHEMBL10150964

CC(C)[C@H](NC1OCO1)C(=O)N1CCC[C@H]1c1nc2cc(C#Cc3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)n4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.38
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL10121556 0.90 PRCP (0.42) PRCPCYP3A4CYP2C9
SCHEMBL15580843 0.89 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10121538 0.89 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10123331 0.88 PRCP (0.41) PRCPCYP3A4CYP2C9
SCHEMBL10120199 0.87 PRCP (0.40) PRCP
SCHEMBL15580831 0.85 CYP3A4 (0.43) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15580829 0.83 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL13166173 0.83 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15580770 0.83 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL19388506 0.83 CYP3A4 (0.58) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 PRCP 1337/4885CYP3A4 56/4885CYP2C9 324/4885

“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.