SCHEMBL699292

SCHEMBL699292

CN(C)C(c1ccc(Cl)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)CCC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.50
MAPT P10636 1/20 0.50
OPRM1 P35372 3/20 0.44
OGFRL1 Q5TC84 2/20 0.44
TP53 P04637 2/20 0.41
OPRL1 P41146 1/20 0.38
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRD1 P41143 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL700071 0.93 LMNA (0.50) LMNAMAPTOPRM1OGFRL1TP53
SCHEMBL699347 0.89 OPRM1 (0.47) LMNAMAPTOPRM1OGFRL1TP53
SCHEMBL699379 0.89 LMNA (0.48) LMNAMAPTOPRM1OGFRL1TP53
SCHEMBL700530 0.89 OPRM1 (0.46) LMNAMAPTOPRM1OGFRL1OPRL1
SCHEMBL699917 0.88 LMNA (0.45) LMNAMAPTOPRM1OGFRL1TP53
SCHEMBL699295 0.88 OPRM1 (0.46) LMNAMAPTOPRM1OGFRL1OPRL1
SCHEMBL700792 0.87 OPRM1 (0.46) LMNAMAPTOPRM1OGFRL1OPRL1
SCHEMBL699225 0.87 OPRM1 (0.47) LMNAMAPTOPRM1OGFRL1OPRL1
SCHEMBL698797 0.86 OPRM1 (0.46) LMNAMAPTOPRM1OGFRL1OPRL1
SCHEMBL699679 0.86 OPRM1 (0.44) LMNAMAPTOPRM1OGFRL1TP53

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
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 LMNA 1558/4885MAPT 3731/4885OPRM1 9/4885

“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.