SCHEMBL4876321

SCHEMBL4876321

CC(Cc1ccc(S(C)(=O)=O)cc1)C(C)NCCCCN1CCCN(S(=O)(=O)CCNCc2ccccc2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.34
CCR2 P41597 1/20 0.33
BACE1 P56817 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
CTSK P43235 1/20 0.31
ACHE P22303 4/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
CCR5 P51681 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL4863300 0.93 CA12 (0.33) CCR2MEN1KMT2ACTSK
SCHEMBL4870394 0.88 KMT2A (0.31) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL4876317 0.84 CD274 (0.35) CD274CCR2BACE1OPRM1OPRK1
SCHEMBL4871446 0.79 CCR5 (0.35) CD274OPRM1OPRK1MEN1KMT2A
SCHEMBL4863294 0.77 CYP2D6 (0.34) CCR2MEN1KMT2AACHEADAMTS5
SCHEMBL4870351 0.74 CYP2D6 (0.31) MEN1KMT2AKDM4EALDH1A1
SCHEMBL6171185 0.73 CCR2 (0.34) CCR2KMT2AALDH1A1POLB
SCHEMBL4874460 0.72 ACHE (0.33) ACHECCR5KDM4EALDH1A1POLB
SCHEMBL4875372 0.72 CYP2D6 (0.31) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4875031 0.72 CYP3A4 (0.31) OPRK1KCNH2ALDH1A1POLB

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 3063/4885CCR2 179/4885BACE1 1114/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CD274 2585/4885CCR2 180/4885BACE1 1069/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CD274 2585/4885CCR2 180/4885BACE1 1069/4885

“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.