SCHEMBL4603777

SCHEMBL4603777

COC(=O)C(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.63
TACR2 P21452 4/20 0.63
CYP3A4 P08684 1/20 0.54

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
SCHEMBL14619297 0.91 TACR3 (0.61) TACR3TACR2CYP3A4
SCHEMBL4603864 0.89 TACR3 (0.59) TACR3TACR2CYP3A4
SCHEMBL4603191 0.89 TACR3 (0.59) TACR3TACR2CYP3A4
SCHEMBL4601750 0.89 TACR3 (0.59) TACR3TACR2CYP3A4
SCHEMBL4614454 0.89 TACR3 (0.64) TACR3TACR2CYP3A4
SCHEMBL14094503 0.86 TACR3 (0.83) TACR3TACR2CYP3A4
SCHEMBL4602149 0.84 TACR3 (0.60) TACR3TACR2CYP3A4
SCHEMBL5106476 0.83 TACR3 (0.62) TACR3TACR2CYP3A4
SCHEMBL4601813 0.82 TACR3 (0.52) TACR3TACR2CYP3A4
SCHEMBL5100747 0.82 TACR3 (0.60) TACR3TACR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-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 22/4885CYP3A4 1661/4885

“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.