SCHEMBL4873850

SCHEMBL4873850

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
MCHR1 Q99705 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL4866715 0.99 KMT2A (0.39) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL4870298 0.92 POLB (0.36) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL4873840 0.88 POLB (0.37) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL4875603 0.88 POLB (0.37) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL4866722 0.87 POLB (0.36) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL4876330 0.86 POLB (0.37) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL4870248 0.85 PIK3CD (0.35) ALDH1A1ADAMTS5
SCHEMBL4874000 0.84 KMT2A (0.37) KMT2APOLBTDP1ALDH1A1KDM4E
SCHEMBL4872667 0.82 CYP1A1 (0.35) KMT2APOLBALDH1A1KDM4EMEN1
SCHEMBL4875014 0.80 ALDH1A1 (0.39) KMT2APOLBTDP1ALDH1A1KDM4E

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 KMT2A 1941/4885POLB 4496/4885TDP1 4153/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885POLB 4520/4885TDP1 3835/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885POLB 4520/4885TDP1 3835/4885

“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.