SCHEMBL4875568

SCHEMBL4875568

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
ACHE P22303 1/20 0.34
CYP3A4 P08684 2/20 0.33
ADRA1B P35368 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 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
SCHEMBL4875410 0.99 MEN1 (0.41) MEN1KMT2ANPC1SIGMAR1SMN1; SMN2
SCHEMBL4866652 0.92 MEN1 (0.41) MEN1KMT2ANPC1SIGMAR1SMN1; SMN2
SCHEMBL27577614 0.91 L3MBTL1 (0.40) MEN1KMT2ASIGMAR1SMN1; SMN2RAB9A
SCHEMBL4875888 0.89 L3MBTL1 (0.48) MEN1KMT2ASIGMAR1SMN1; SMN2RAB9A
SCHEMBL4876477 0.87 MEN1 (0.33) MEN1KMT2ANPC1SIGMAR1ALDH1A1
SCHEMBL4876044 0.86 KMT2A (0.42) MEN1KMT2ASIGMAR1SMN1; SMN2RAB9A
SCHEMBL4875014 0.85 ALDH1A1 (0.39) MEN1KMT2ARAB9AL3MBTL1SOAT2
SCHEMBL4875603 0.85 POLB (0.37) MEN1KMT2ARAB9AL3MBTL1SOAT2
SCHEMBL4873840 0.85 POLB (0.37) MEN1KMT2ARAB9AL3MBTL1SOAT2
SCHEMBL4863231 0.84 CYP3A4 (0.48) MEN1KMT2ANPC1SMN1; SMN2L3MBTL1

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 10 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
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 1954/4885KMT2A 1941/4885NPC1 1987/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885KMT2A 2014/4885NPC1 1483/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885KMT2A 2014/4885NPC1 1483/4885

“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.