SCHEMBL4873591

SCHEMBL4873591

CCN(CCCCN1CCN(C(=O)c2ccccc2)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
P2RX7 Q99572 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
KMT2A Q03164 2/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PLA2G2A P14555 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4866706 0.91 MAPK1 (0.42) LMNAKMT2AALDH1A1
SCHEMBL4875247 0.91 CYP3A4 (0.34) LMNAADAMTS5ITGB2ICAM1ITGAL
SCHEMBL4872326 0.89 CYP3A4 (0.34) LMNAADAMTS5ALDH1A1
SCHEMBL4865377 0.89 FAAH (0.44) MAPTKMT2ACA12CA1CA2
SCHEMBL4870213 0.88 CYP3A4 (0.33) LMNAADAMTS5ALDH1A1PLA2G2A
SCHEMBL4876887 0.88 SIRT2 (0.36) LMNAADAMTS5ALDH1A1PLA2G2A
SCHEMBL4877377 0.88 KMT2A (0.34) LMNAADAMTS5KMT2AALDH1A1
SCHEMBL4876118 0.88 ALDH1A1 (0.48) LMNAMAPTKMT2ACA12CA1
SCHEMBL4876913 0.87 CHRM1 (0.36) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL4875620 0.86 PLA2G2A (0.34) LMNAADAMTS5ITGB2ICAM1ITGAL

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 LMNA 3315/4885MAPT 4142/4885HPGD 1395/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885MAPT 4292/4885HPGD 1194/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885MAPT 4292/4885HPGD 1194/4885

“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.