SCHEMBL4875574

SCHEMBL4875574

CCN(CCCCN1CCN(Cc2ccccc2)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
CCR2 P41597 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
APOBEC3A P31941 1/20 0.41
RECQL P46063 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4865392 0.90 KDM2B (0.35) MEN1NPC1RAB9AKMT2ACCR2
SCHEMBL4870349 0.85 CYP2D6 (0.40) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL4876195 0.84 KCNH2 (0.43) MEN1KMT2ACCR2ALDH1A1LMNA
SCHEMBL4875247 0.84 CYP3A4 (0.34) ALDH1A1LMNA
SCHEMBL4873591 0.84 LMNA (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4875603 0.84 POLB (0.37) MEN1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL4873840 0.84 POLB (0.37) MEN1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL4877377 0.83 KMT2A (0.34) KMT2ACCR2ALDH1A1LMNASMN1; SMN2
SCHEMBL4865377 0.83 FAAH (0.44) KMT2AGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL4872326 0.82 CYP3A4 (0.34) ALDH1A1LMNASMN1; SMN2

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 MEN1 1954/4885NPC1 1987/4885RAB9A 3218/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885NPC1 1483/4885RAB9A 2725/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885NPC1 1483/4885RAB9A 2725/4885

“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.