SCHEMBL698943

SCHEMBL698943

CN(C)C(c1ccccc1)C1CCC2(CC1)NCCc1c2[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.61
OGFRL1 Q5TC84 8/20 0.61
OPRL1 P41146 6/20 0.61
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.48
CFTR P13569 3/20 0.47
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
CDK8 P49336 1/20 0.39
NTRK3 Q16288 1/20 0.39
LPAR1 Q92633 1/20 0.38

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
SCHEMBL699886 0.92 OPRM1 (0.54) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL698848 0.92 OPRM1 (0.54) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL698484 0.90 OPRM1 (0.51) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL699822 0.86 OPRM1 (0.53) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2330357 0.82 OPRM1 (0.60) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2326540 0.81 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL698790 0.76 OPRM1 (0.65) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL10038853 0.76 OPRM1 (1.00) OPRM1OGFRL1OPRL1LMNAOPRD1
SCHEMBL517133 0.76 OPRM1 (1.00) OPRM1OGFRL1OPRL1LMNAOPRD1
SCHEMBL998281 0.76 LMNA (0.94) OPRM1OGFRL1OPRL1LMNAKMT2A

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.