SCHEMBL16398375

SCHEMBL16398375

CCN(c1cc(Cl)cc(C(=O)OC)c1C)C1CCN(CCc2cccc(OC)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.49
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ CCR4 P51679 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CACNA1G O43497 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL16398094 0.92 OPRM1 (0.50) OPRM1OPRD1OPRK1SIGMAR1CCR4
SCHEMBL20749672 0.85 SIGMAR1 (0.47) OPRM1OPRD1OPRK1SIGMAR1CCR4
SCHEMBL15819328 0.84 EZH2 (0.43) THRBKMT2A
SCHEMBL15819327 0.84 EZH2 (0.43) THRBKMT2A
SCHEMBL19390905 0.83 EZH2 (0.42) OPRM1OPRD1OPRK1CCR4THRB
SCHEMBL16402619 0.83 EZH2 (0.53) —
SCHEMBL16402441 0.83 EZH2 (0.51) —
SCHEMBL15839169 0.83 EZH2 (0.57) —
SCHEMBL15839173 0.83 EZH2 (0.56) —
SCHEMBL15839157 0.82 EZH2 (0.56) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150764-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-12-11 — — US disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 — — US disclosed
EP-3022184-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-05-25 — — EP disclosed
WO-2015010049-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2015-01-22 — — 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-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL OPRM1 4199/4885OPRD1 3960/4885OPRK1 2381/4885
US-10150764-B2 Substituted benzene compounds CYP1B1, TP53, VHL OPRM1 4199/4885OPRD1 3960/4885OPRK1 2381/4885

“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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