SCHEMBL4603023

SCHEMBL4603023

COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccncc1

nearest known ligand 0.92

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.92
TACR2 P21452 3/20 0.88
TSHR P16473 2/20 0.88
KDM4E B2RXH2 1/20 0.88
MEN1 O00255 1/20 0.88
ALDH1A1 P00352 1/20 0.88
CYP1A2 P05177 1/20 0.88
CYP3A4 P08684 1/20 0.88
NFKB1 P19838 1/20 0.88
MTOR P42345 1/20 0.88
BLM P54132 1/20 0.88
PMP22 Q01453 1/20 0.88
KMT2A Q03164 1/20 0.88
NPSR1 Q6W5P4 1/20 0.88
HSD17B10 Q99714 1/20 0.88
CYP2D6 P10635 1/20 0.88
CYP2C9 P11712 1/20 0.88

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
SCHEMBL4467694 0.96 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4467692 0.96 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4459313 0.93 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4459316 0.93 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4460561 0.93 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4478086 0.89 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4478081 0.89 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4600980 0.89 TACR3 (0.82) TACR3TACR2TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL6447385 0.88 TACR3 (0.98) TACR3TACR2TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL6447378 0.88 TACR3 (0.98) TACR3TACR2TSHRKDM4EMEN1

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 6 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-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 22/4885TSHR 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.