SCHEMBL10351516

SCHEMBL10351516

[2H]COc1ccc(C2(C(=O)OCC)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.53
▸ OPRD1 P41143 3/20 0.51
▸ OPRK1 P41145 3/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47

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
SCHEMBL10351842 0.91 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28318807 0.89 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10318609 0.80 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10351747 0.80 KMT2A (0.52) —
SCHEMBL10351518 0.79 OPRM1 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24220122 0.78 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1769207 0.78 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1510 0.78 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23225662 0.78 OPRM1 (0.79) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13869027 0.77 CHRM1 (0.67) OPRM1SLC22A1CHRM2CHRM1

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-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 — — US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 — — US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — 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-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 OPRM1 1682/4885OPRD1 1002/4885OPRK1 2518/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 OPRM1 1707/4885OPRD1 1034/4885OPRK1 2534/4885

“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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