SCHEMBL4876317

SCHEMBL4876317

CCN(CCCCN1CCCN(S(=O)(=O)CCNCc2ccccc2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35
CCR5 P51681 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
CCR2 P41597 2/20 0.32
BACE1 P56817 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4871446 0.95 CCR5 (0.35) CD274CYP2D6CYP2C9RAB9ACCR5
SCHEMBL4863294 0.93 CYP2D6 (0.34) CYP2D6CYP2C9RAB9AMEN1KMT2A
SCHEMBL4875372 0.89 CYP2D6 (0.31) CYP2D6CYP2C9RAB9AMEN1KMT2A
SCHEMBL4870351 0.89 CYP2D6 (0.31) CYP2D6CYP2C9RAB9AMEN1KMT2A
SCHEMBL4874460 0.89 ACHE (0.33) CYP2D6CYP2C9RAB9ACCR5
SCHEMBL4875031 0.88 CYP3A4 (0.31) CYP2D6OPRK1KCNH2
SCHEMBL4863296 0.88 CYP2D6 (0.36) CYP2D6CYP2C9RAB9AOPRM1OPRK1
SCHEMBL4875395 0.87 CYP3A4 (0.32) CYP2D6CYP2C9RAB9AOPRK1MEN1
SCHEMBL4875048 0.87 ACHE (0.31)
SCHEMBL4870384 0.87 CYP2D6 (0.30) CYP2D6CYP2C9RAB9A

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 CD274 3063/4885CYP2D6 194/4885CYP2C9 388/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CD274 2585/4885CYP2D6 129/4885CYP2C9 236/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CD274 2585/4885CYP2D6 129/4885CYP2C9 236/4885

“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.