SCHEMBL4874251

SCHEMBL4874251

CCCN(CCCCN1CCCCC1=O)C(CC)Cc1ccc(C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
MAPT P10636 1/20 0.38
HCN4 Q9Y3Q4 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PGK1 P00558 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL4865427 0.82 ADAMTS5 (0.39) SIGMAR1KMT2AL3MBTL1RAB9A
SCHEMBL6983534 0.81 MAPT (0.44) MAPTHCN4POLBCYP3A4ALOX15
SCHEMBL4874264 0.76 POLB (0.41) POLBPGK1KMT2AMEN1L3MBTL1
SCHEMBL12856209 0.74 POLB (0.50) SIGMAR1MAPTHCN4POLBCYP3A4
SCHEMBL4870291 0.72 L3MBTL1 (0.38) SIGMAR1KMT2AL3MBTL1RAB9A
SCHEMBL4871569 0.72 RAB9A (0.41) SIGMAR1KMT2AL3MBTL1RAB9A
SCHEMBL4875539 0.71 ADAMTS5 (0.40) KMT2AL3MBTL1RAB9A
SCHEMBL4866744 0.71 HPGD (0.38) KMT2AMEN1RAB9A
SCHEMBL4866771 0.71 KMT2A (0.46) SIGMAR1CYP3A4KMT2AMEN1RAB9A
SCHEMBL4876273 0.71 POLB (0.47) SIGMAR1MAPTHCN4POLBCYP3A4

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 SIGMAR1 59/4885MAPT 4142/4885HCN4 857/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SIGMAR1 32/4885MAPT 4292/4885HCN4 782/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SIGMAR1 32/4885MAPT 4292/4885HCN4 782/4885

“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.