SCHEMBL10121322

SCHEMBL10121322

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(C#Cc3ccc4[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)nc4c3)cc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 12/20 0.43
CPT2 P23786 7/20 0.43
HCRTR2 O43614 5/20 0.42
HCRTR1 O43613 4/20 0.41
CHEK2 O96017 1/20 0.40
CPT1B Q92523 1/20 0.39

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
SCHEMBL22361587 0.93 HCRTR2 (0.38) CPT1ACPT2HCRTR2HCRTR1CHEK2
SCHEMBL10150922 0.91 HCRTR2 (0.44) CPT1ACPT2HCRTR2HCRTR1CHEK2
SCHEMBL11924830 0.90 HCRTR1 (0.42) HCRTR2HCRTR1CHEK2
SCHEMBL12798471 0.90 HCRTR1 (0.44) HCRTR2HCRTR1CHEK2
SCHEMBL10121333 0.87 PRCP (0.44) CPT1ACPT2HCRTR2HCRTR1CHEK2
SCHEMBL18783010 0.87 HCRTR1 (0.36) HCRTR2HCRTR1CHEK2
SCHEMBL15048040 0.87 CHEK2 (0.42) HCRTR2HCRTR1CHEK2
SCHEMBL2708020 0.86 HCRTR1 (0.46) HCRTR2HCRTR1CHEK2
SCHEMBL18462503 0.86 HCRTR1 (0.46) HCRTR2HCRTR1CHEK2
SCHEMBL12798768 0.86 HCRTR1 (0.43) HCRTR2HCRTR1CHEK2

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 15 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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 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 (6 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 CPT1A 102/4885CPT2 1223/4885HCRTR2 4679/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CPT1A 102/4885CPT2 1223/4885HCRTR2 4679/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CPT1A 102/4885CPT2 1223/4885HCRTR2 4679/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CPT1A 94/4885CPT2 1115/4885HCRTR2 4631/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CPT1A 102/4885CPT2 1223/4885HCRTR2 4679/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CPT1A 102/4885CPT2 1223/4885HCRTR2 4679/4885

“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.