SCHEMBL2437458

SCHEMBL2437458

CN(C)C1(c2cccs2)CCC2(CC1(F)F)OCCc1c2[nH]c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.58
OGFRL1 Q5TC84 13/20 0.58
OPRL1 P41146 7/20 0.58
OPRD1 P41143 3/20 0.58
OPRK1 P41145 3/20 0.58
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL681595 0.87 OPRM1 (0.74) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436443 0.85 OPRM1 (0.74) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL682350 0.81 OPRM1 (0.73) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2435791 0.81 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436988 0.81 OPRM1 (0.55) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436870 0.75 OPRM1 (0.52) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436266 0.75 OPRM1 (0.57) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436154 0.75 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038876 0.75 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL158960 0.75 OPRM1 (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293758-B2 Substituted spirocyclic cyclohexane derivatives GRUNENTHAL GMBH (DE) 2012-10-23 US claimed
EP-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 EP claimed
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
US-8293758-B2 Substituted spirocyclic cyclohexane derivatives GRUNENTHAL GMBH (DE) 2012-10-23 US disclosed
EP-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 EP disclosed
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRM1 4/4885OGFRL1 5/4885OPRL1 1/4885

“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.