SCHEMBL4875116

SCHEMBL4875116

CCCN(CCN1CCCCC1=O)C(C)Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.38
P2RX3 P56373 1/20 0.37
ACHE P22303 1/20 0.37
CXCR3 P49682 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
WDR91 A4D1P6 1/20 0.35

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
SCHEMBL4875539 0.92 ADAMTS5 (0.40) ADAMTS5L3MBTL1EPHX2P2RX3ACHE
SCHEMBL4864762 0.92 ADAMTS5 (0.44) ADAMTS5L3MBTL1EPHX2P2RX3ACHE
SCHEMBL4870291 0.81 L3MBTL1 (0.38) ADAMTS5L3MBTL1ACHESIGMAR1LMNA
SCHEMBL4873593 0.81 ADAMTS5 (0.40) ADAMTS5L3MBTL1GAALMNAMEN1
SCHEMBL4866771 0.81 KMT2A (0.46) CXCR3SIGMAR1LMNAMEN1KMT2A
SCHEMBL4865427 0.81 ADAMTS5 (0.39) ADAMTS5L3MBTL1EPHX2ACHEHRH3
SCHEMBL4877288 0.81 ADRA1A (0.40) L3MBTL1SIGMAR1LMNAMEN1KMT2A
SCHEMBL4872440 0.81 LMNA (0.38) ADAMTS5L3MBTL1ACHEHRH3LMNA
SCHEMBL4875374 0.80 MTNR1A (0.45) L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL4874172 0.80 SLC6A4 (0.40) LMNAMEN1KMT2A

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 9 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
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
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US 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 (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 1839/4885L3MBTL1 2437/4885EPHX2 436/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885L3MBTL1 2339/4885EPHX2 410/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ADAMTS5 2297/4885L3MBTL1 2339/4885EPHX2 410/4885

“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.