SCHEMBL699679

SCHEMBL699679

CN(C)C(c1ccc(Cl)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OGFRL1 Q5TC84 2/20 0.44
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRL1 P41146 1/20 0.38
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 3/20 0.35
LMNA P02545 4/20 0.35
THRB P10828 1/20 0.35
CDK8 P49336 1/20 0.35
NTRK3 Q16288 1/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 2/20 0.34
TRPV1 Q8NER1 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
SCHEMBL700373 0.98 OPRM1 (0.46) OPRM1OGFRL1MAPTALDH1A1OPRL1
SCHEMBL700077 0.96 OPRM1 (0.42) OPRM1OGFRL1MAPTALDH1A1OPRL1
SCHEMBL700792 0.92 OPRM1 (0.46) OPRM1OGFRL1MAPTOPRL1KMT2A
SCHEMBL700117 0.92 OPRM1 (0.41) OPRM1OGFRL1MAPTALDH1A1OPRL1
SCHEMBL699347 0.90 OPRM1 (0.47) OPRM1OGFRL1MAPTALDH1A1OPRL1
SCHEMBL700360 0.89 OPRM1 (0.44) OPRM1OGFRL1MAPTOPRL1KMT2A
SCHEMBL699295 0.88 OPRM1 (0.46) OPRM1OGFRL1MAPTOPRL1KMT2A
SCHEMBL700530 0.88 OPRM1 (0.46) OPRM1OGFRL1MAPTALDH1A1OPRL1
SCHEMBL700024 0.87 OPRM1 (0.48) OPRM1OGFRL1MAPTALDH1A1OPRL1
SCHEMBL699379 0.86 LMNA (0.48) OPRM1OGFRL1MAPTOPRL1KMT2A

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.