SCHEMBL4870337

SCHEMBL4870337

CC(Cc1ccccc1S(=O)(=O)c1ccccc1)C(C)NCCCCN1CCCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.37
ADRA1B P35368 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
METAP2 P50579 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
RCE1 Q9Y256 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL27595647 0.79 ADRA1B (0.36) MALT1SLC6A2HTR2ATSHRSMN1; SMN2
SCHEMBL4875416 0.75 MEN1 (0.44) MALT1TSHRSMN1; SMN2KMT2AALDH1A1
SCHEMBL4876049 0.75 KMT2A (0.47) MALT1SMN1; SMN2POLBKMT2ATDP1
SCHEMBL4871367 0.72 HPGD (0.50) SLC6A2TSHRSMN1; SMN2KMT2AKDM4E
SCHEMBL4873675 0.72 HTR2A (0.43) HTR2APOLBKMT2AL3MBTL1ALDH1A1
SCHEMBL17788503 0.68 KMT2A (0.47) MALT1SMN1; SMN2POLBKMT2ATDP1
SCHEMBL4873684 0.68 ADAMTS5 (0.41) MALT1POLBADRA1BKMT2ATDP1
SCHEMBL4864771 0.67 L3MBTL1 (0.40) KMT2AL3MBTL1
SCHEMBL27473374 0.67 L3MBTL1 (0.37) ADRA1BKMT2AL3MBTL1ALDH1A1RCE1
SCHEMBL4870329 0.66 L3MBTL1 (0.40) TSHRADRA1BKMT2AL3MBTL1ALDH1A1

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 MALT1 2704/4885SLC6A2 707/4885HTR2A 238/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MALT1 2359/4885SLC6A2 804/4885HTR2A 199/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MALT1 2359/4885SLC6A2 804/4885HTR2A 199/4885

“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.