SCHEMBL2970248

SCHEMBL2970248

COc1ccc2[nH]c3c(c2c1)CCNC31CCC(O)(c2ccc(C(F)(F)F)cc2)C(CN(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 20/20 0.46

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 SCHEMBL2961924 0.92 CFTR (0.41) CFTR
SCHEMBL2965245 0.90 CFTR (0.54) CFTR
SCHEMBL2966374 0.87 OPRM1 (0.49) CFTR
SCHEMBL2977418 0.86 CFTR (0.49) CFTR
SCHEMBL4763223 0.85 OPRM1 (0.51) CFTR
Citric Acid SCHEMBL2962652 0.83 CFTR (0.46) CFTR
SCHEMBL13202814 0.83 CFTR (0.50) CFTR
SCHEMBL4724252 0.81 OPRM1 (0.50) CFTR
Hydrochloric Acid SCHEMBL2965766 0.80 OPRM1 (0.51) CFTR
Citric Acid SCHEMBL2962073 0.80 OPRM1 (0.44) CFTR

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 10 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
EP-1778680-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2007-05-02 EP disclosed
WO-2006018184-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2006-02-23 WO 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 10/4885

“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.