SCHEMBL4876934

SCHEMBL4876934

CCCN(CCCCN1CCCN(C(=O)NCC)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
NAMPT P43490 1/20 0.31
LOX P28300 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CCR2 P41597 1/20 0.31
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
RORC P51449 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
SCHEMBL4870412 0.94 NPSR1 (0.35) ALDH1A1RAB9APTGS2ADAMTS5NAMPT
SCHEMBL4874326 0.94 EPHX2 (0.37) ALDH1A1RAB9ANAMPTCA12CA9
SCHEMBL4875402 0.93 PLA2G2A (0.32) PLA2G2AALDH1A1RAB9APTGS2ADAMTS5
SCHEMBL4870404 0.93 EPHX2 (0.34) PLA2G2AALDH1A1RAB9APTGS2ADAMTS5
SCHEMBL4872685 0.90 PTGS2 (0.33) PLA2G2AALDH1A1PTGS2ADAMTS5CCR2
SCHEMBL6982001 0.90 ADAMTS5 (0.34) PLA2G2AALDH1A1PTGS2ADAMTS5CCR2
SCHEMBL4866661 0.89 GPR119 (0.33) PLA2G2AALDH1A1RAB9APTGS2ADAMTS5
SCHEMBL4874189 0.89 PTGS2 (0.33) PLA2G2AALDH1A1PTGS2ADAMTS5CCR2
SCHEMBL4872796 0.89 RORC (0.38) ALDH1A1RAB9AADAMTS5NAMPTCA12
SCHEMBL4875263 0.88 PLA2G2A (0.34) PLA2G2AALDH1A1PTGS2ADAMTS5CCR2

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 PLA2G2A 2510/4885ALDH1A1 2504/4885RAB9A 3218/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PLA2G2A 2156/4885ALDH1A1 1684/4885RAB9A 2725/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PLA2G2A 2156/4885ALDH1A1 1684/4885RAB9A 2725/4885

“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.