SCHEMBL700117

SCHEMBL700117

CN(C)C(c1cccc(F)c1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OGFRL1 Q5TC84 3/20 0.41
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.36
OPRL1 P41146 2/20 0.35
TP53 P04637 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCB1 P08183 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
POLB P06746 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
SCHEMBL700077 0.93 OPRM1 (0.42) OPRM1OGFRL1ALDH1A1MAPTOPRL1
SCHEMBL700373 0.93 OPRM1 (0.46) OPRM1OGFRL1ALDH1A1MAPTOPRL1
SCHEMBL699679 0.92 OPRM1 (0.44) OPRM1OGFRL1ALDH1A1MAPTOPRL1
SCHEMBL700318 0.89 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1
SCHEMBL698242 0.87 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1
SCHEMBL700114 0.86 OPRM1 (0.44) OPRM1OGFRL1OPRL1TP53TRPV1
SCHEMBL699422 0.86 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1KDM4E
SCHEMBL700109 0.85 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1
SCHEMBL700792 0.85 OPRM1 (0.46) OPRM1OGFRL1MAPTOPRL1TRPV1
SCHEMBL699830 0.85 OPRM1 (0.47) OPRM1OGFRL1OPRL1TRPV1KDM4E

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 10 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
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 163/4885ALDH1A1 358/4885

“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.