SCHEMBL4871401

SCHEMBL4871401

CCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(S(=O)(=O)CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
AOC2 O75106 3/20 0.37
RCE1 Q9Y256 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
RAB9A P51151 1/20 0.34
RORC P51449 2/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
MEN1 O00255 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
SCHEMBL4875014 0.93 ALDH1A1 (0.39) CYP2C19GAAALDH1A1AOC2POLB
SCHEMBL4873840 0.89 POLB (0.37) CYP2C19ALDH1A1POLBKMT2ATDP1
SCHEMBL4875603 0.89 POLB (0.37) CYP2C19ALDH1A1POLBKMT2ATDP1
SCHEMBL4874158 0.89 CA2 (0.37) ALDH1A1POLBKMT2ATDP1KDM4E
SCHEMBL4870539 0.89 KMT2A (0.36) CYP2C19ALDH1A1POLBKMT2ATDP1
SCHEMBL4876466 0.88 ADAMTS5 (0.39) CYP2C19GAAALDH1A1POLBKMT2A
SCHEMBL4873684 0.88 ADAMTS5 (0.41) ALDH1A1RCE1POLBKMT2ATDP1
SCHEMBL4873855 0.87 KMT2A (0.41) CYP2C19GAAALDH1A1POLBKMT2A
SCHEMBL4875610 0.87 KMT2A (0.41) CYP2C19GAAALDH1A1POLBKMT2A
SCHEMBL4874383 0.86 ALDH1A1 (0.45) CYP2C19GAAALDH1A1POLBKMT2A

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 8 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
CN-1430610-A Substituted 1-aminoalkyllactam compounds and their use as muscarinic receptor antagonists HOFFMANN LA ROCHE (CH) 2003-07-16 CN 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 CYP2C19 587/4885GAA 4460/4885ALDH1A1 2504/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP2C19 396/4885GAA 4250/4885ALDH1A1 1684/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP2C19 396/4885GAA 4250/4885ALDH1A1 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.