SCHEMBL4870404

SCHEMBL4870404

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
HRH3 Q9Y5N1 3/20 0.32
PTGS2 P35354 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
CCR2 P41597 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
PLA2G2A P14555 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 0.30
CA2 P00918 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
RORC P51449 1/20 0.30
MCHR1 Q99705 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL4875402 0.93 PLA2G2A (0.32) HRH3PTGS2ADAMTS5CCR2PLA2G2A
SCHEMBL4876934 0.93 PLA2G2A (0.32) EPHX2PTGS2ADAMTS5CCR2TSHR
SCHEMBL4870412 0.92 NPSR1 (0.35) EPHX2PTGS2ADAMTS5TSHRALDH1A1
SCHEMBL4874326 0.91 EPHX2 (0.37) EPHX2TSHRALDH1A1CA12CA9
SCHEMBL4872685 0.91 PTGS2 (0.33) HRH3PTGS2ADAMTS5CCR2PLA2G2A
SCHEMBL6982001 0.91 ADAMTS5 (0.34) HRH3PTGS2ADAMTS5CCR2PLA2G2A
SCHEMBL4866661 0.90 GPR119 (0.33) HRH3PTGS2ADAMTS5CCR2PLA2G2A
SCHEMBL4874189 0.90 PTGS2 (0.33) HRH3PTGS2ADAMTS5CCR2PLA2G2A
SCHEMBL4872796 0.90 RORC (0.38) EPHX2ADAMTS5TSHRALDH1A1CA12
SCHEMBL4875263 0.89 PLA2G2A (0.34) HRH3PTGS2ADAMTS5CCR2PLA2G2A

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
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO 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 (2 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 EPHX2 436/4885HRH3 77/4885PTGS2 3335/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 EPHX2 410/4885HRH3 66/4885PTGS2 3134/4885

“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.