SCHEMBL3465670

SCHEMBL3465670

NC(=O)C[CH]c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
PFKFB3 Q16875 1/20 0.45
TBXAS1 P24557 2/20 0.44
CYP11B2 P19099 2/20 0.44

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
SCHEMBL1515204 0.84 MAPT (0.53) MAPTRAB9AMAPK1KDM4ENPC1
SCHEMBL23992178 0.83 TBXAS1 (0.60) MAPTRAB9AMAPK1KDM4ENPC1
SCHEMBL3465968 0.83 TBXAS1 (0.49) MAPTRAB9AMAPK1KDM4ENPC1
Nicotinaldehyde SCHEMBL28290769 0.79 MAPT (0.56) MAPTRAB9AMAPK1KDM4ENPC1
SCHEMBL3092733 0.77 MAPT (0.58) MAPTRAB9AMAPK1KDM4ENPC1
SCHEMBL3087230 0.77 JUN (0.45) KDM4EJUNNFKB1ALDH1A1KMT2A
SCHEMBL176807 0.77 PAM (0.47) MAPTKDM4EF3ALDH1A1RECQL
SCHEMBL14152431 0.76 MAPT (0.45) MAPTRAB9AMAPK1KDM4ENPC1
SCHEMBL2674302 0.75 ADRA2A (0.41) MAPTKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL1937380 0.75

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200504-A1 non-peptide NK-3 receptor ligands; anxiety, depression, schizophrenia, obesity; 2-Phenyl-quinoline-4-carboxylic acid (1-pyridin-4-yl-propyl) amide; reacting the 2-phenyl-quinolinyl-4-carbonyl chloride with a pyridylalkylamine to form the amide ASTRAZENECA AB (SE) 2008-08-21 US claimed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
EP-1976560-B1 THERMOREVERSIBLE OIL-IN-WATER EMULSION SANOFI PASTEUR (FR) 2014-01-08 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-1976560-A2 THERMOREVERSIBLE OIL-IN-WATER EMULSION Sanofi Pasteur (FR) 2008-10-08 EP disclosed
US-20080200504-A1 non-peptide NK-3 receptor ligands; anxiety, depression, schizophrenia, obesity; 2-Phenyl-quinoline-4-carboxylic acid (1-pyridin-4-yl-propyl) amide; reacting the 2-phenyl-quinolinyl-4-carbonyl chloride with a pyridylalkylamine to form the amide ASTRAZENECA AB (SE) 2008-08-21 US disclosed
EP-1915362-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007080308-A2 THERMOREVERSIBLE OIL-IN-WATER EMULSION SANOFI PASTEUR (FR) 2007-07-19 WO disclosed
WO-2007018465-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 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 (6 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAPT 3375/4885RAB9A 1686/4885MAPK1 1419/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 MAPT 4650/4885RAB9A 2908/4885MAPK1 973/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAPT 3375/4885RAB9A 1686/4885MAPK1 1419/4885
US-20080200504-A1 non-peptide NK-3 receptor ligands; anxiety, depression, schizophrenia, obesity; 2-Phenyl-quinoline-4-carboxylic acid (1-pyridin-4-yl-propyl) amide; reacting the 2-phenyl-quinolinyl-4-carbonyl chloride with a pyridylalkylamine to form the amide NPY4R, PROKR1, NPSR1 MAPT 4579/4885RAB9A 1912/4885MAPK1 1859/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 MAPT 4278/4885RAB9A 2271/4885MAPK1 410/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A MAPT 3375/4885RAB9A 1686/4885MAPK1 1419/4885

“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.