SCHEMBL1471135

SCHEMBL1471135

COc1ccccc1NCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
HTR7 P34969 1/20 0.47
AURKA O14965 1/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
CYP2C19 P33261 1/20 0.45
NCF1 P14598 2/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
RAD52 P43351 2/20 0.42
SLC2A1 P11166 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL1644001 0.79 CHRM2 (0.64) CHRM2CYP2C19MAPTNPC1ALDH1A1
SCHEMBL19072966 0.79 CHRM2 (0.51) CHRM2MAPTALDH1A1GAAKMT2A
SCHEMBL10995422 0.79 CHRM2 (0.51) CHRM2CYP2C19MAPTGAAPOLB
SCHEMBL4168734 0.78 CHRM2 (0.62) CHRM2MAPTNPC1ALDH1A1GAA
SCHEMBL881553 0.78 CHRM2 (0.62) CHRM2MAPTNPC1ALDH1A1GAA
SCHEMBL7733773 0.78 CHRM2 (0.62) CHRM2MAPTNPC1ALDH1A1GAA
SCHEMBL3073595 0.78 CHRM2 (0.62) CHRM2MAPTNPC1ALDH1A1GAA
SCHEMBL5800488 0.78 CHRM2 (0.62) CHRM2MAPTNPC1ALDH1A1GAA
SCHEMBL7771127 0.78 CHRM2 (0.62) CHRM2CYP2C19NCF1MAPTNPC1
SCHEMBL10632588 0.77 CHRM2 (0.59) CHRM2MAPTNPC1ALDH1A1GAA

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
EP-1912948-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-09-09 EP disclosed
US-7915292-B2 2-{benzyl-[(6-methyl-2-phenyl-quinolin-3-yl)-phenyl-methyl]-amino}-N-(4-methyl-piperazin-1-yl)-acetamide; tuberculosis; antimycobacterial drugs; a tertiary nitrogen atom in the alpha position in the side chain attached to the 3-position of the quinoline nucleus to get fewer enantiomers possible JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080182855-A1 Antibacterial Quinoline Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-31 US disclosed
EP-1912948-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
WO-2007014885-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
US-4681898-A ANTI-DIABETIC, HYPOGLYECMIC AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1987-07-21 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 (1 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-20080182855-A1 Antibacterial Quinoline Derivatives NDUFB5, NQO2, MT-ND5 CHRM2 477/4885HTR7 2930/4885AURKA 1472/4885

“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.