SCHEMBL16253745

SCHEMBL16253745

CC(C)C(=O)[C@@H](N)N1CCC(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ OPRM1 P35372 4/20 0.49
▸ SLC18A3 Q16572 5/20 0.45
▸ PRCP P42785 1/20 0.44
▸ LIPE Q05469 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ CCR1 P32246 1/20 0.42

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
SCHEMBL16255639 0.85 KCNH2 (0.54) KCNH2HRH3OPRM1SLC18A3PRCP
SCHEMBL27498941 0.81 KCNH2 (0.60) KCNH2HRH3OPRM1SLC18A3PRCP
SCHEMBL12158639 0.81 KCNH2 (0.53) KCNH2HRH3OPRM1SLC18A3PRCP
SCHEMBL888843 0.81 KCNH2 (0.53) KCNH2HRH3OPRM1SLC18A3PRCP
SCHEMBL24291907 0.79 KCNH2 (0.53) KCNH2HRH3OPRM1SLC18A3SIGMAR1
SCHEMBL10122844 0.76 KCNH2 (0.48) KCNH2HRH3OPRM1PRCP
SCHEMBL10122846 0.76 KCNH2 (0.48) KCNH2HRH3OPRM1PRCP
SCHEMBL2661616 0.76 KCNH2 (0.56) KCNH2HRH3OPRM1SLC18A3SIGMAR1
SCHEMBL15045186 0.76 KCNH2 (0.61) KCNH2HRH3PRCPLIPECA12
SCHEMBL2603282 0.76 HRH3 (0.69) KCNH2HRH3OPRM1SLC18A3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 — — 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-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNH2 3278/4885HRH3 3208/4885OPRM1 2146/4885

“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.

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