SCHEMBL2977418

SCHEMBL2977418

COc1ccc2[nH]c3c(c2c1)CCNC31CCC(O)(c2cccc(F)c2)C(CN(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 19/20 0.49
OPRM1 P35372 1/20 0.49
OGFRL1 Q5TC84 1/20 0.49

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
Citric Acid SCHEMBL2962073 0.91 OPRM1 (0.44) CFTROPRM1OGFRL1
SCHEMBL2965245 0.91 CFTR (0.54) CFTROPRM1OGFRL1
SCHEMBL2976864 0.89 OPRM1 (0.52) CFTROPRM1OGFRL1
SCHEMBL4724252 0.87 OPRM1 (0.50) CFTROPRM1OGFRL1
SCHEMBL2970246 0.87 OPRM1 (0.58) CFTROPRM1OGFRL1
Hydrochloric Acid SCHEMBL2965766 0.87 OPRM1 (0.51) CFTROPRM1OGFRL1
SCHEMBL2970248 0.86 CFTR (0.46) CFTR
SCHEMBL13202814 0.84 CFTR (0.50) CFTROPRM1OGFRL1
Citric Acid SCHEMBL2962652 0.83 CFTR (0.46) CFTROPRM1OGFRL1
SCHEMBL4723407 0.81 OPRM1 (0.64) CFTROPRM1OGFRL1

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 CFTR 10/4885OPRM1 768/4885OGFRL1 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.