SCHEMBL699678

SCHEMBL699678

CC(C)C(=O)N1CCc2c([nH]c3ccccc23)C12CCC(C(c1ccc(Cl)cc1)N(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
OGFRL1 Q5TC84 2/20 0.48
OPRL1 P41146 1/20 0.39
KIF11 P52732 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
LPAR1 Q92633 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCL1 Q07820 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
SCHEMBL700104 0.93 OPRM1 (0.53) OPRM1OGFRL1OPRL1LPAR1ALDH1A1
SCHEMBL698813 0.92 OPRM1 (0.48) OPRM1OGFRL1OPRL1TRPV1LPAR1
SCHEMBL700024 0.90 OPRM1 (0.48) OPRM1OGFRL1OPRL1TRPV1LPAR1
SCHEMBL700130 0.90 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1ABCG2
SCHEMBL699295 0.90 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1KMT2A
SCHEMBL699347 0.89 OPRM1 (0.47) OPRM1OGFRL1OPRL1TRPV1LPAR1
SCHEMBL699225 0.89 OPRM1 (0.47) OPRM1OGFRL1OPRL1TRPV1LPAR1
SCHEMBL698797 0.88 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1LPAR1
SCHEMBL700792 0.87 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1KMT2A
SCHEMBL700530 0.87 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1LPAR1

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 163/4885OPRL1 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.