SCHEMBL18782812

SCHEMBL18782812

CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1c1nc(-c2ccc(C#Cc3ccc4[nH]c([C@@H]5CC(F)(F)CN5C(=O)OC(C)(C)C)nc4c3)cc2)c[nH]1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.32
HCRTR2 O43614 7/20 0.32
PRCP P42785 2/20 0.31
GRM5 P41594 2/20 0.31

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
SCHEMBL18782813 0.93 HCRTR1 (0.32) HCRTR1HCRTR2GRM5
SCHEMBL10121580 0.90 PRCP (0.37) HCRTR1HCRTR2PRCP
SCHEMBL18782914 0.87 HCRTR1 (0.34) HCRTR1HCRTR2PRCPGRM5
SCHEMBL18782993 0.85 HCRTR1 (0.36) HCRTR1HCRTR2PRCP
SCHEMBL10121598 0.84 GABRA1 (0.32) PRCPGRM5
SCHEMBL18782818 0.83
SCHEMBL22361400 0.83 HCRTR1 (0.40) HCRTR1HCRTR2PRCP
SCHEMBL18782958 0.82 HCRTR1 (0.31) HCRTR1HCRTR2PRCP
SCHEMBL19364716 0.82 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL10121596 0.82 PRCP (0.36) HCRTR1HCRTR2PRCP

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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 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 (2 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HCRTR1 4466/4885HCRTR2 4679/4885PRCP 1337/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L HCRTR1 4412/4885HCRTR2 4631/4885PRCP 1292/4885

“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.