SCHEMBL698670

SCHEMBL698670

CN(C)C(c1ccc(Cl)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)Cc1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OGFRL1 Q5TC84 2/20 0.42
FFAR2 O15552 2/20 0.37
OPRL1 P41146 1/20 0.36
LMNA P02545 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.33
CDK8 P49336 1/20 0.33
NTRK3 Q16288 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL699105 0.88 OPRM1 (0.43) OPRM1OGFRL1FFAR2OPRL1LMNA
SCHEMBL700665 0.88 OPRM1 (0.41) OPRM1OGFRL1OPRL1ABCG2TRPV1
SCHEMBL699347 0.87 OPRM1 (0.47) OPRM1OGFRL1OPRL1LMNATRPV1
SCHEMBL699379 0.86 LMNA (0.48) OPRM1OGFRL1OPRL1LMNAABCG2
SCHEMBL699295 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1LMNATRPV1
SCHEMBL700530 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1LMNAABCG2
SCHEMBL700792 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1LMNATRPV1
SCHEMBL700734 0.84 OPRM1 (0.43) OPRM1OGFRL1FFAR2OPRL1LMNA
SCHEMBL700360 0.84 OPRM1 (0.44) OPRM1OGFRL1OPRL1LMNAABCG2
SCHEMBL698953 0.84 OPRM1 (0.44) OPRM1OGFRL1OPRL1LMNAABCG2

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 5 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
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 163/4885FFAR2 1257/4885

“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.