SCHEMBL4601632

SCHEMBL4601632

O=C(Cl)c1c(O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.77
PDE10A Q9Y233 3/20 0.77
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.56
TACR3 P29371 4/20 0.54
TACR2 P21452 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP1A2 P05177 1/20 0.54
TACR1 P25103 1/20 0.54
OPRM1 P35372 1/20 0.54
CYP2C8 P10632 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Oxycinchophen SCHEMBL29460357 0.87 DHODH (1.00) DHODHPDE10ALMNATSHRTACR3
Oxycinchophen SCHEMBL1170683 0.87 DHODH (1.00) DHODHPDE10ALMNATSHRTACR3
Oxycinchophen SCHEMBL31654029 0.87 DHODH (1.00) DHODHPDE10ALMNATSHRTACR3
SCHEMBL13971502 0.84 DHODH (0.77) DHODHPDE10ALMNATSHRTACR3
SCHEMBL9501979 0.84 DHODH (1.00) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL13957847 0.84 LMNA (0.77) DHODHPDE10ALMNATSHRTACR3
SCHEMBL4463839 0.83 PDE10A (0.77) DHODHPDE10ALMNATSHRTACR3
SCHEMBL7692816 0.83 DHODH (0.56) DHODHPDE10ALMNATSHRTACR3
SCHEMBL13957865 0.80 TACR3 (0.62) DHODHPDE10ALMNATSHRTACR3
SCHEMBL4230222 0.80 DHODH (0.70) DHODHPDE10ALMNATSHRTACR3

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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US disclosed
CN-101287723-A Amidoalkylpyridylquinolines as NK3 receptor modulators ASTRAZENECA AB (SE) 2008-10-15 CN disclosed
CN-101282964-A Oxopyridyl quinoline amides as NK3 receptor modulators ASTRAZENECA AB (SE) 2008-10-08 CN 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-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1915362-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
EP-1915363-A1 OXOPYRIDYL QUINOLINE AMIDES 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
WO-2007018469-A1 OXOPYRIDYL QUINOLINE AMIDES 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 (3 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 DHODH 2547/4885PDE10A 2448/4885LMNA 3842/4885
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 DHODH 4351/4885PDE10A 3503/4885LMNA 2776/4885
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators KCNQ3, KCNA3, GPR3 DHODH 3201/4885PDE10A 1695/4885LMNA 3448/4885

“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.