SCHEMBL698642

SCHEMBL698642

Cc1ccc2[nH]c3c(c2c1)CC(C)OC31CCC(C(C(C)c2ccccc2)N(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.63
OGFRL1 Q5TC84 12/20 0.63
RB1 P06400 2/20 0.34
CFTR P13569 1/20 0.33
OPRL1 P41146 3/20 0.33
SIRT1 Q96EB6 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MLKL Q8NB16 1/20 0.32
SSTR3 P32745 1/20 0.32

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
SCHEMBL699255 0.90 OPRM1 (0.64) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2326582 0.88 OPRM1 (0.66) OPRM1OGFRL1RB1CFTROPRL1
SCHEMBL698643 0.81 OPRM1 (0.61) OPRM1OGFRL1RB1OPRL1SIRT1
SCHEMBL699217 0.81 OPRM1 (0.56) OPRM1OGFRL1RB1OPRL1SIRT1
SCHEMBL699857 0.80 OPRM1 (0.58) OPRM1OGFRL1RB1SIRT1
SCHEMBL699418 0.80 OPRM1 (0.57) OPRM1OGFRL1RB1OPRL1SIRT1
Citric Acid SCHEMBL699659 0.79 OPRM1 (0.54) OPRM1OGFRL1RB1SIRT1SSTR3
SCHEMBL700139 0.79 OPRM1 (0.67) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL682556 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL702288 0.77 OPRM1 (0.56) OPRM1OGFRL1RB1SIRT1SSTR3

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-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP claimed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US claimed
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 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-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY OPRK1, OPRL1, OPRD1 OPRM1 9/4885OGFRL1 163/4885RB1 3891/4885

“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.