SCHEMBL6345820

SCHEMBL6345820

CCN(CC1CCN(C(=O)NC)CC1)C1CCc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.43
MCHR1 Q99705 12/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 1/20 0.39

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
SCHEMBL3392011 0.92 TRPV4 (0.42) TRPV4MCHR1ITGB3ITGA2BNPC1
SCHEMBL3392015 0.92 MCHR1 (0.42) TRPV4MCHR1ITGB3ITGA2BNPC1
SCHEMBL6345247 0.92 MCHR1 (0.46) TRPV4MCHR1ITGB3ITGA2BCCR5
SCHEMBL6343691 0.91 MCHR1 (0.44) TRPV4MCHR1ITGB3ITGA2BNPC1
SCHEMBL6336525 0.91 TRPV4 (0.43) TRPV4MCHR1ITGB3ITGA2BNPC1
SCHEMBL3385427 0.89 ITGB3 (0.49) TRPV4MCHR1ITGB3ITGA2BNPC1
SCHEMBL3386929 0.89 GPR119 (0.48) TRPV4NPC1RAB9A
SCHEMBL3389013 0.86 NPC1 (0.43) TRPV4MCHR1ITGB3ITGA2BNPC1
SCHEMBL3385450 0.82 MCHR1 (0.51) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL3385455 0.81 MCHR1 (0.51) MCHR1ITGB3ITGA2BNPC1RAB9A

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
US-6864266-B2 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-03-08 US disclosed
EP-1453805-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 EP disclosed
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists BROTHERTON-PLEISS CHRISTINE E (US) 2004-05-13 US disclosed
US-6627644-B2 Muscarinic receptor antagonists and parasympathetic nervous system. The physiological actions of Acetylcholine are mediated by activation of either nicotinic or muscarinic receptors SYNTEX (U.S.A.) LLC 2003-09-30 US disclosed
US-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) LLC, NAME CHANGED TO ROCHE PALO ALTO LLC 2003-08-28 US disclosed
WO-2003048124-A1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 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 (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-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM1, CHRM3, CHRM2 TRPV4 339/4885MCHR1 61/4885ITGB3 1652/4885
US-20040092554-A1 4-piperidinyl alkyl amine derivatives as muscarinic receptor antagonists CHRM1, CHRM3, CHRM2 TRPV4 339/4885MCHR1 61/4885ITGB3 1652/4885

“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.