SCHEMBL4425913

SCHEMBL4425913

Cc1ccc(S(=O)(=O)OCCc2ccc(CCN(C)Cc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.54
NPSR1 Q6W5P4 1/20 0.45
MCHR1 Q99705 1/20 0.45
KCNH2 Q12809 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL30379861 0.86 ATM (0.50) CNR2MCHR1SIGMAR1
SCHEMBL241683 0.85 CA9 (0.54) CNR2MCHR1
SCHEMBL4022611 0.84 MEN1 (0.51) CNR2MCHR1SIGMAR1
SCHEMBL18289524 0.81 CA1 (0.50) CNR2
SCHEMBL6906905 0.81 CA1 (0.50) CNR2
SCHEMBL6872283 0.79 MCHR1 (0.58) CNR2NPSR1MCHR1TAS2R14
SCHEMBL31618044 0.78 HTT (0.59)
SCHEMBL6797730 0.78 CNR2 (0.50) CNR2
SCHEMBL3884644 0.78 CNR2 (0.46) CNR2MCHR1KCNH2
SCHEMBL10983891 0.78 AR (0.58) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557126-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-07-07 US disclosed
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-01 US disclosed
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 US disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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 (2 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-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 CNR2 63/4885NPSR1 197/4885MCHR1 121/4885
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 CNR2 63/4885NPSR1 197/4885MCHR1 121/4885

“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.