SCHEMBL8917698

SCHEMBL8917698

CCC(=O)[C@@H](c1ccccc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.53
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
PRCP P42785 1/20 0.48
SLC18A3 Q16572 3/20 0.48
DRD2 P14416 1/20 0.47
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL12980613 1.00 OPRM1 (0.53) OPRM1KCNH2HRH3PRCPSLC18A3
SCHEMBL12980614 0.86 KCNA3 (0.47) OPRM1LMNA
SCHEMBL8916939 0.86 KCNA3 (0.47) OPRM1LMNA
SCHEMBL890109 0.84 KCNH2 (0.52) OPRM1KCNH2HRH3PRCPSLC18A3
SCHEMBL12175058 0.84 KCNH2 (0.52) OPRM1KCNH2HRH3PRCPSLC18A3
SCHEMBL753850 0.84 LMNA (0.63) OPRM1KCNH2HRH3PRCPSLC18A3
SCHEMBL13187482 0.82 LMNA (0.65) KCNH2LMNA
SCHEMBL8915944 0.82 LMNA (0.65) KCNH2LMNA
SCHEMBL12158639 0.82 KCNH2 (0.53) OPRM1KCNH2HRH3PRCPSLC18A3
SCHEMBL888843 0.82 KCNH2 (0.53) OPRM1KCNH2HRH3PRCPSLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 OPRM1 2184/4885KCNH2 3093/4885HRH3 3685/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 OPRM1 2228/4885KCNH2 3860/4885HRH3 3578/4885

“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.