SCHEMBL4869982

SCHEMBL4869982

CCCN(CCCCN1CCCN(C(=O)Cc2ccccc2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.37
RORC P51449 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CCR2 P41597 2/20 0.35
CCR5 P51681 9/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4866690 0.92 GAA (0.40) ADAMTS5ALDH1A1TSHRGAA
SCHEMBL4874189 0.91 PTGS2 (0.33) ADAMTS5ALDH1A1CCR2HRH3GAA
SCHEMBL6982001 0.90 ADAMTS5 (0.34) ADAMTS5RORCALDH1A1CCR2CCR5
SCHEMBL4866765 0.90 LMNA (0.38) ADAMTS5ALDH1A1CCR2HRH3
SCHEMBL4875263 0.90 PLA2G2A (0.34) ADAMTS5ALDH1A1CCR2HRH3GAA
SCHEMBL4872685 0.89 PTGS2 (0.33) ADAMTS5RORCALDH1A1CCR2CCR5
SCHEMBL4872796 0.88 RORC (0.38) ADAMTS5RORCALDH1A1TSHRGAA
SCHEMBL4870404 0.86 EPHX2 (0.34) ADAMTS5RORCALDH1A1TSHRCCR2
SCHEMBL4866661 0.86 GPR119 (0.33) ADAMTS5ALDH1A1CCR2HRH3GAA
SCHEMBL4875402 0.86 PLA2G2A (0.32) ADAMTS5RORCALDH1A1CCR2CCR5

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 ADAMTS5 1839/4885RORC 499/4885ALDH1A1 2504/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885RORC 649/4885ALDH1A1 1684/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885RORC 649/4885ALDH1A1 1684/4885

“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.