SCHEMBL2970246

SCHEMBL2970246

CN(C)CC1CC2(CCC1(O)c1cccc(F)c1)NCCc1c2[nH]c2cc(F)ccc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.58
OGFRL1 Q5TC84 8/20 0.58
OPRL1 P41146 3/20 0.43
CFTR P13569 5/20 0.40
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37
MEN1 O00255 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KMT2A Q03164 1/20 0.37
ARRB1 P49407 2/20 0.35

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
SCHEMBL4723407 0.94 OPRM1 (0.64) OPRM1OGFRL1OPRL1CFTROPRD1
SCHEMBL2976864 0.93 OPRM1 (0.52) OPRM1OGFRL1OPRL1CFTROPRD1
SCHEMBL4763223 0.88 OPRM1 (0.51) OPRM1OGFRL1OPRL1CFTRMEN1
SCHEMBL4766511 0.88 OPRM1 (0.51) OPRM1OGFRL1OPRL1CFTRKMT2A
SCHEMBL2977418 0.87 CFTR (0.49) OPRM1OGFRL1CFTR
SCHEMBL4763423 0.87 OPRM1 (0.54) OPRM1OGFRL1OPRL1CFTROPRD1
Citric Acid SCHEMBL2975179 0.86 OPRM1 (0.54) OPRM1OGFRL1OPRL1CFTROPRD1
Citric Acid SCHEMBL2976541 0.84 OPRM1 (0.45) OPRM1OGFRL1OPRL1CFTROPRD1
SCHEMBL2977285 0.83 OPRM1 (0.60) OPRM1OGFRL1OPRL1CFTROPRD1
SCHEMBL4724252 0.82 OPRM1 (0.50) OPRM1OGFRL1OPRL1CFTROPRD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP claimed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 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-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 OPRM1 768/4885OGFRL1 1860/4885OPRL1 558/4885

“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.