SCHEMBL4601948

SCHEMBL4601948

COC(=O)C(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.56
TACR2 P21452 5/20 0.56
TSHR P16473 4/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
NFKB1 P19838 2/20 0.56
BLM P54132 2/20 0.56
PMP22 Q01453 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56

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
SCHEMBL14619204 0.90 TACR3 (0.54) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL4614724 0.90 TACR3 (0.56) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL4601759 0.90 TACR3 (0.56) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL4602149 0.89 TACR3 (0.60) TACR3TACR2CYP3A4
SCHEMBL6447655 0.88 TACR3 (0.67) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL6447661 0.88 TACR3 (0.67) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL4614150 0.87 TACR3 (0.60) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL14094521 0.85 TACR3 (0.60) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL4603864 0.84 TACR3 (0.59) TACR3TACR2TSHRCYP3A4CYP2C9
SCHEMBL5112779 0.83 TACR3 (0.58) TACR3TACR2TSHRCYP3A4CYP2C9

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-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
EP-1915362-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018465-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US 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
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
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-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 (2 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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 TACR3 8/4885TACR2 6/4885TSHR 255/4885
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 TACR3 41/4885TACR2 22/4885TSHR 66/4885

“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.