SCHEMBL699379

SCHEMBL699379

CN(C)C(c1ccc(Cl)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.48
OPRM1 P35372 4/20 0.46
OGFRL1 Q5TC84 3/20 0.46
OPRL1 P41146 1/20 0.40
TP53 P04637 2/20 0.40
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL2326027 0.92 LMNA (0.48) LMNAOPRM1OGFRL1OPRL1TP53
SCHEMBL699347 0.90 OPRM1 (0.47) LMNAOPRM1OGFRL1OPRL1TP53
SCHEMBL700360 0.89 OPRM1 (0.44) LMNAOPRM1OGFRL1OPRL1TP53
SCHEMBL699292 0.89 LMNA (0.50) LMNAOPRM1OGFRL1OPRL1TP53
SCHEMBL699295 0.88 OPRM1 (0.46) LMNAOPRM1OGFRL1OPRL1POLB
SCHEMBL2328906 0.88 OPRM1 (0.45) LMNAOPRM1OGFRL1OPRL1TP53
SCHEMBL700530 0.88 OPRM1 (0.46) LMNAOPRM1OGFRL1OPRL1ESR1
SCHEMBL700792 0.88 OPRM1 (0.46) LMNAOPRM1OGFRL1OPRL1ESR1
SCHEMBL699105 0.87 OPRM1 (0.43) LMNAOPRM1OGFRL1OPRL1TP53
SCHEMBL699679 0.86 OPRM1 (0.44) LMNAOPRM1OGFRL1OPRL1TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 1558/4885OPRM1 9/4885OGFRL1 163/4885

“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.