SCHEMBL699886

SCHEMBL699886

CN(C)C(c1ccc(F)cc1)C1CCC2(CC1)NCCc1c2[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.54
OGFRL1 Q5TC84 8/20 0.54
OPRL1 P41146 2/20 0.54
LMNA P02545 1/20 0.53
CFTR P13569 8/20 0.49
KMT2A Q03164 1/20 0.45
CDK8 P49336 1/20 0.39
NTRK3 Q16288 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
SCHEMBL698943 0.92 OPRM1 (0.61) OPRM1OGFRL1OPRL1LMNACFTR
SCHEMBL698484 0.91 OPRM1 (0.51) OPRM1OGFRL1OPRL1LMNACFTR
SCHEMBL698848 0.90 OPRM1 (0.54) OPRM1OGFRL1OPRL1LMNACFTR
SCHEMBL699822 0.82 OPRM1 (0.53) OPRM1OGFRL1OPRL1LMNACFTR
SCHEMBL700118 0.82 OPRM1 (0.63) OPRM1OGFRL1OPRL1
SCHEMBL699371 0.81 OPRM1 (0.49) OPRM1OGFRL1OPRL1KMT2A
SCHEMBL706718 0.79 OPRM1 (0.41) OPRM1OGFRL1OPRL1CFTRKMT2A
SCHEMBL10038859 0.78 OPRM1 (0.83) OPRM1OGFRL1OPRL1LMNACFTR
SCHEMBL517298 0.78 OPRM1 (0.83) OPRM1OGFRL1OPRL1LMNACFTR
SCHEMBL698813 0.77 OPRM1 (0.48) OPRM1OGFRL1OPRL1CFTRKMT2A

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-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

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.