SCHEMBL699422

SCHEMBL699422

CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)C12CCC(C(c1cccc(F)c1)N(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
OGFRL1 Q5TC84 3/20 0.45
OPRL1 P41146 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
OPRD1 P41143 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL698513 0.94 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL698242 0.92 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL700789 0.92 OPRM1 (0.51) OPRM1OGFRL1OPRL1TRPV1KDM4E
SCHEMBL700318 0.90 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL700109 0.90 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL701240 0.90 OPRM1 (0.47) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL701237 0.89 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL2328906 0.89 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL699830 0.88 OPRM1 (0.47) OPRM1OGFRL1OPRL1TRPV1KDM4E
SCHEMBL699917 0.88 LMNA (0.45) OPRM1OGFRL1OPRL1TRPV1CDK4

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
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP claimed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO 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.