SCHEMBL4870443

SCHEMBL4870443

CCCN(CCCCN1CCCN(C(=O)c2cccnc2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.36
PLA2G2A P14555 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL4866765 0.91 LMNA (0.38) ALDH1A1KMT2APLA2G2ALMNAHPGD
SCHEMBL4875154 0.85 ALDH1A1 (0.43) ALDH1A1TSHRKMT2ALMNACYP3A4
SCHEMBL4872685 0.85 PTGS2 (0.33) ALDH1A1PLA2G2AHRH3
SCHEMBL6982001 0.85 ADAMTS5 (0.34) ALDH1A1PLA2G2AHRH3
SCHEMBL4866757 0.85 PLA2G2A (0.36) PLA2G2AHRH3DPP4
SCHEMBL4874189 0.85 PTGS2 (0.33) ALDH1A1PLA2G2AHRH3GAA
SCHEMBL4869037 0.84 L3MBTL1 (0.37) MAPK1ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL4871384 0.84 ALDH1A1 (0.43) MAPK1ALDH1A1TSHRKMT2APLA2G2A
SCHEMBL4866706 0.84 MAPK1 (0.42) MAPK1ALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL4870472 0.84 KDM4E (0.39) MAPK1ALDH1A1TSHRKMT2ALMNA

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 MAPK1 2543/4885ALDH1A1 2504/4885TSHR 146/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAPK1 2153/4885ALDH1A1 1684/4885TSHR 120/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAPK1 2153/4885ALDH1A1 1684/4885TSHR 120/4885

“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.