SCHEMBL17371010

SCHEMBL17371010

CCOC(=O)C1(c2ccc(-c3ccc(-c4sccc4C(N)=O)cc3C(=O)O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.40
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL17215450 0.88 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15854187 0.86 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15854165 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22271721 0.85 APP (0.44)
SCHEMBL15854190 0.85 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28388683 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28388684 0.84 OPRM1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28390001 0.81 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15853775 0.79 OPRM1 (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17216044 0.75 PDE4D (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 OPRM1 683/4885OPRD1 473/4885OPRK1 705/4885

“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.