SCHEMBL699105

SCHEMBL699105

CN(C)C(c1ccc(Cl)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
OGFRL1 Q5TC84 2/20 0.43
MAPT P10636 2/20 0.42
CDK8 P49336 1/20 0.39
NTRK3 Q16288 1/20 0.39
OPRL1 P41146 1/20 0.37
FFAR2 O15552 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL700398 0.96 OPRM1 (0.46) OPRM1OGFRL1MAPTCDK8NTRK3
SCHEMBL700967 0.94 OPRM1 (0.47) OPRM1OGFRL1MAPTCDK8NTRK3
SCHEMBL701237 0.90 OPRM1 (0.46) OPRM1OGFRL1MAPTCDK8NTRK3
SCHEMBL700077 0.89 OPRM1 (0.42) OPRM1OGFRL1MAPTCDK8NTRK3
SCHEMBL699347 0.89 OPRM1 (0.47) OPRM1OGFRL1MAPTOPRL1LMNA
SCHEMBL699258 0.89 OPRM1 (0.47) OPRM1OGFRL1OPRL1LMNATP53
SCHEMBL700665 0.88 OPRM1 (0.41) OPRM1OGFRL1CDK8NTRK3OPRL1
SCHEMBL699520 0.88 OPRM1 (0.41) OPRM1OGFRL1CDK8NTRK3LMNA
SCHEMBL698670 0.88 OPRM1 (0.42) OPRM1OGFRL1MAPTCDK8NTRK3
SCHEMBL699295 0.87 OPRM1 (0.46) OPRM1OGFRL1MAPTOPRL1LMNA

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 163/4885MAPT 3731/4885

“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.