SCHEMBL4724252

SCHEMBL4724252

COc1cccc(C2(O)CCC3(CC2CN(C)C)NCCc2c3[nH]c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.50
OPRD1 P41143 6/20 0.50
OGFRL1 Q5TC84 5/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
OPRK1 P41145 4/20 0.50
SLC22A1 O15245 2/20 0.50
OPRL1 P41146 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
MEN1 O00255 1/20 0.50
CFTR P13569 1/20 0.44

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
Hydrochloric Acid SCHEMBL2965766 0.99 OPRM1 (0.51) OPRM1OPRD1OGFRL1SLC6A2SLC6A4
SCHEMBL2965245 0.89 CFTR (0.54) OPRM1OGFRL1OPRL1CFTR
SCHEMBL2977285 0.89 OPRM1 (0.60) OPRM1OPRD1OGFRL1OPRK1OPRL1
SCHEMBL2976864 0.88 OPRM1 (0.52) OPRM1OPRD1OGFRL1SLC6A2SLC6A4
SCHEMBL2977418 0.87 CFTR (0.49) OPRM1OGFRL1CFTR
SCHEMBL2973808 0.82 OPRM1 (0.50) OPRM1OPRD1OGFRL1OPRK1OPRL1
SCHEMBL13202814 0.82 CFTR (0.50) OPRM1OGFRL1CFTR
SCHEMBL2966374 0.82 OPRM1 (0.49) OPRM1OPRD1OGFRL1OPRK1OPRL1
SCHEMBL2970246 0.82 OPRM1 (0.58) OPRM1OPRD1OGFRL1SLC6A2SLC6A4
Citric Acid SCHEMBL2962652 0.81 CFTR (0.46) OPRM1OGFRL1OPRL1CFTR

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
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
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

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 768/4885OPRD1 295/4885OGFRL1 1860/4885

“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.