SCHEMBL699225

SCHEMBL699225

CN(C)C(c1ccc(Cl)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OGFRL1 Q5TC84 2/20 0.47
OPRL1 P41146 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MCL1 Q07820 1/20 0.34
ESR1 P03372 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
SCHEMBL698797 0.99 OPRM1 (0.46) OPRM1OGFRL1OPRL1MAPTLMNA
SCHEMBL700024 0.97 OPRM1 (0.48) OPRM1OGFRL1OPRL1MAPTTRPV1
SCHEMBL698925 0.93 OPRM1 (0.51) OPRM1OGFRL1OPRL1MAPTLPAR1
SCHEMBL700503 0.93 OPRM1 (0.51) OPRM1OGFRL1OPRL1MAPTLPAR1
SCHEMBL698369 0.92 OPRM1 (0.47) OPRM1OGFRL1OPRL1LMNATRPV1
SCHEMBL700600 0.91 OPRM1 (0.46) OPRM1OGFRL1OPRL1LMNATRPV1
SCHEMBL699678 0.89 OPRM1 (0.48) OPRM1OGFRL1OPRL1MAPTTRPV1
SCHEMBL699347 0.88 OPRM1 (0.47) OPRM1OGFRL1OPRL1MAPTLMNA
SCHEMBL700447 0.87 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1LPAR1
SCHEMBL699292 0.87 LMNA (0.50) OPRM1OGFRL1OPRL1MAPTLMNA

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.