SCHEMBL2437119

SCHEMBL2437119

CN(C)C1(c2ccccc2)CCC2(CC1c1ccccc1)NCCc1c2[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.64
OGFRL1 Q5TC84 12/20 0.64
OPRL1 P41146 6/20 0.64
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.43
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
CFTR P13569 1/20 0.39

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
SCHEMBL2436917 0.88 OPRM1 (0.66) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2437055 0.87 OPRM1 (0.65) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2435699 0.84 OPRM1 (0.61) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2436492 0.79 OPRM1 (0.64) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038853 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1LMNAOPRD1
SCHEMBL517133 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1LMNAOPRD1
SCHEMBL2434962 0.78 OPRM1 (0.56) OPRM1OGFRL1OPRL1LMNAKMT2A
Hydrochloric Acid SCHEMBL1303569 0.77 OPRM1 (1.00) OPRM1OGFRL1OPRL1LMNAOPRD1
SCHEMBL2438769 0.76 OPRM1 (0.55) OPRM1OGFRL1OPRL1LMNAOPRD1
SCHEMBL19535630 0.75 OPRM1 (0.85) OPRM1OGFRL1OPRL1LMNAKMT2A

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-8293758-B2 Substituted spirocyclic cyclohexane derivatives GRUNENTHAL GMBH (DE) 2012-10-23 US claimed
EP-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 EP claimed
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
US-8293758-B2 Substituted spirocyclic cyclohexane derivatives GRUNENTHAL GMBH (DE) 2012-10-23 US disclosed
EP-2260042-B1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-09-21 EP disclosed
US-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247561-A1 SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRM1 4/4885OGFRL1 5/4885OPRL1 1/4885

“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.