SCHEMBL4870291

SCHEMBL4870291

CCCN(CCCCN1CCCCC1=O)C(C)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
ACHE P22303 5/20 0.36
RAB9A P51151 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PNMT P11086 1/20 0.36
KMT2A Q03164 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
LMNA P02545 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 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 0.89 ADAMTS5 (0.40) L3MBTL1ACHERAB9AADRA1AADRA1B
SCHEMBL4871569 0.89 RAB9A (0.41) L3MBTL1SIGMAR1RAB9AADRA1AADRA1B
SCHEMBL4866771 0.88 KMT2A (0.46) SIGMAR1RAB9AADRA1AADRA1BKMT2A
SCHEMBL4875623 0.86 HTR2A (0.39) SIGMAR1ADRA1AKMT2ALMNA
SCHEMBL4873285 0.84 PARP1 (0.38) RAB9AKMT2ALMNASOAT2SOAT1
SCHEMBL4866744 0.82 HPGD (0.38) RAB9AKMT2A
SCHEMBL4875116 0.81 ADAMTS5 (0.43) L3MBTL1SIGMAR1ACHEKMT2AADAMTS5
SCHEMBL4866652 0.81 MEN1 (0.41) L3MBTL1SIGMAR1ACHERAB9AADRA1B
SCHEMBL4874172 0.81 SLC6A4 (0.40) RAB9AADRA1BKMT2ALMNASOAT2
SCHEMBL4876330 0.80 POLB (0.37) L3MBTL1RAB9AKMT2AADAMTS5SOAT2

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 L3MBTL1 2437/4885SIGMAR1 59/4885ACHE 174/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885SIGMAR1 32/4885ACHE 137/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885SIGMAR1 32/4885ACHE 137/4885

“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.