SCHEMBL699520

SCHEMBL699520

COc1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C23CCC(C(c2ccc(F)cc2)N(C)C)CC3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
LMNA P02545 2/20 0.37
CDK8 P49336 1/20 0.37
NTRK3 Q16288 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
CCR5 P51681 1/20 0.36
TP53 P04637 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
SCHEMBL699664 0.94 OPRM1 (0.44) OPRM1OGFRL1LMNACDK8NTRK3
SCHEMBL699540 0.94 OPRM1 (0.41) OPRM1OGFRL1CDK8NTRK3TRPV1
SCHEMBL700665 0.93 OPRM1 (0.41) OPRM1OGFRL1CDK8NTRK3TRPV1
SCHEMBL700398 0.91 OPRM1 (0.46) OPRM1OGFRL1LMNACDK8NTRK3
SCHEMBL699468 0.90 OPRM1 (0.41) OPRM1OGFRL1CDK8NTRK3ABCB1
SCHEMBL700967 0.89 OPRM1 (0.47) OPRM1OGFRL1LMNACDK8NTRK3
SCHEMBL699105 0.88 OPRM1 (0.43) OPRM1OGFRL1LMNACDK8NTRK3
SCHEMBL701237 0.87 OPRM1 (0.46) OPRM1OGFRL1LMNACDK8NTRK3
SCHEMBL699258 0.85 OPRM1 (0.47) OPRM1OGFRL1LMNATRPV1TP53
SCHEMBL699904 0.85 OPRM1 (0.41) OPRM1OGFRL1LMNACDK8NTRK3

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 163/4885LMNA 1558/4885

“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.