SCHEMBL700102

SCHEMBL700102

CN(C)C(c1cccc(F)c1)C1CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.58
OGFRL1 Q5TC84 13/20 0.58
OPRL1 P41146 6/20 0.58
OPRD1 P41143 3/20 0.58
OPRK1 P41145 3/20 0.58
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
BAZ2B Q9UIF8 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
SCHEMBL699715 0.94 OPRM1 (0.65) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL699732 0.93 OPRM1 (0.62) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL700162 0.92 OPRM1 (0.59) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL699742 0.88 OPRM1 (0.55) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL700959 0.85 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL700118 0.84 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL699554 0.82 OPRM1 (0.51) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2326540 0.82 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL699217 0.79 OPRM1 (0.56) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL709906 0.79 OPRM1 (0.54) 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 8 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
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP disclosed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US disclosed
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO 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 163/4885OPRL1 2/4885

“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.