SCHEMBL8917644

SCHEMBL8917644

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.50
OPRK1 P41145 15/20 0.50
OPRL1 P41146 15/20 0.50
LMNA P02545 2/20 0.45
OPRD1 P41143 14/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL303920 0.85 LMNA (0.63) OPRM1OPRK1OPRL1LMNAOPRD1
SCHEMBL2707046 0.85 LMNA (0.63) OPRM1OPRK1OPRL1LMNAOPRD1
SCHEMBL890213 0.84 OPRM1 (0.53) OPRM1OPRK1OPRL1LMNAOPRD1
SCHEMBL14479493 0.84 OPRM1 (0.53) OPRM1OPRK1OPRL1LMNAOPRD1
SCHEMBL8915944 0.83 LMNA (0.65) LMNAOPRD1GAAALDH1A1MEN1
SCHEMBL13187482 0.83 LMNA (0.65) LMNAOPRD1GAAALDH1A1MEN1
SCHEMBL13748125 0.82 OPRM1 (0.52) OPRM1OPRK1OPRL1LMNAOPRD1
SCHEMBL10151018 0.82 GAA (0.66) LMNAOPRD1GAAALDH1A1MEN1
SCHEMBL14478021 0.81 OPRM1 (0.51) OPRM1OPRK1OPRL1LMNAOPRD1
SCHEMBL888780 0.81 OPRM1 (0.51) OPRM1OPRK1OPRL1LMNAOPRD1

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-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US 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

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 2184/4885OPRK1 1982/4885OPRL1 3713/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 OPRM1 2228/4885OPRK1 1860/4885OPRL1 3669/4885

“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.