SCHEMBL4870239

SCHEMBL4870239

O=CCCCN1CCCCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
PIK3CD O00329 1/20 0.38
RAB9A P51151 3/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7323646 0.93 KMT2A (0.44) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL2555170 0.89 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL2559744 0.87 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL4873730 0.84 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL11994179 0.81 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL10427076 0.81 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL4611720 0.81 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL10481709 0.81 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL664516 0.81 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1HRH3CYP1A2
SCHEMBL4481209 0.81 KMT2A (0.47) L3MBTL1KMT2AMEN1RAB9ASMN1; 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 11 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
CN-1178922-C Substituted 1-aminoalkyllactam compounds and their use as muscarinic receptor antagonists - 2004-12-08 CN 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 L3MBTL1 2437/4885KMT2A 1941/4885MEN1 1954/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885KMT2A 2014/4885MEN1 1892/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885KMT2A 2014/4885MEN1 1892/4885

“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.