SCHEMBL2965463

SCHEMBL2965463

COc1ccc2[nH]c3c(c2c1)CCOC31CCC(O)(c2ccc(SC)cc2)C(C(C)(C)N)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.51
OGFRL1 Q5TC84 9/20 0.51
OPRL1 P41146 5/20 0.51
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
TRPA1 O75762 2/20 0.35
CFTR P13569 2/20 0.34
KDR P35968 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
Citric Acid SCHEMBL2968843 0.91 OPRM1 (0.45) OPRM1OGFRL1OPRL1DRD2DRD3
SCHEMBL2965466 0.84 OPRM1 (0.54) OPRM1OGFRL1OPRL1DRD2DRD3
SCHEMBL2970325 0.83 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL2968844 0.78 OPRM1 (0.48) OPRM1OGFRL1OPRL1DRD2DRD3
Citric Acid SCHEMBL2976654 0.75 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2976491 0.70 OPRM1 (0.52) OPRM1OGFRL1OPRL1DRD2DRD3
SCHEMBL2971719 0.69 OPRM1 (0.57) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL682592 0.68 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681581 0.68 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1304030 0.68 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 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-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 OPRM1 768/4885OGFRL1 1860/4885OPRL1 558/4885

“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.