SCHEMBL4875299

SCHEMBL4875299

CCN(CCCCN1CCCN(S(=O)(=O)C(F)(F)F)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
CCR5 P51681 4/20 0.36
GPR119 Q8TDV5 1/20 0.31
CCR2 P41597 5/20 0.31
CYP2D6 P10635 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL4870323 0.90 CYP2D6 (0.35) KCNH2CCR5CCR2CYP2D6
SCHEMBL4876435 0.86 CCR2 (0.35) KCNH2CCR5GPR119CCR2
SCHEMBL4875048 0.86 ACHE (0.31)
SCHEMBL4870384 0.86 CYP2D6 (0.30) CYP2D6
SCHEMBL4863216 0.86 L3MBTL1 (0.30) CCR2
SCHEMBL4870351 0.85 CYP2D6 (0.31) CYP2D6
SCHEMBL4873778 0.85 CCR2 (0.34) CCR5CCR2
SCHEMBL4875372 0.85 CYP2D6 (0.31) CYP2D6
SCHEMBL4866697 0.85 KCNH2 (0.33) KCNH2CCR5GPR119CCR2CYP2D6
SCHEMBL4875121 0.85 CYP2D6 (0.36) KCNH2CCR5CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 US disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 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 (3 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 KCNH2 574/4885CCR5 105/4885GPR119 184/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KCNH2 542/4885CCR5 110/4885GPR119 204/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KCNH2 542/4885CCR5 110/4885GPR119 204/4885

“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.