SCHEMBL327850

SCHEMBL327850

CCCNc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.65
CYP1A2 P05177 1/20 0.61
CXCR4 P61073 1/20 0.57
FABP1 P07148 1/20 0.55
FABP6 P51161 1/20 0.55
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FDPS P14324 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL31015708 1.00 CYP2C19 (0.65) CYP2C19CYP1A2CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL27761585 0.98 CYP2C19 (0.62) CYP2C19CYP1A2CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL17871621 0.98 CYP2C19 (0.62) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL2158846 0.88 CYP2C19 (0.61) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL30496433 0.88 CYP2C19 (0.61) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL3265804 0.87 CYP1A2 (0.70) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL515358 0.86 CYP2C19 (0.59) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL30449687 0.86 CYP2C19 (0.59) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL10607875 0.85 ALOX12 (0.60) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL7447683 0.85 ALOX12 (0.60) CYP2C19CYP1A2CXCR4FABP1FABP6

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 81 patents — showing the first 20. 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
CN-119529236-A Epoxy resin composition, epoxy resin composition containing reinforcing fibers, prepreg, thermoplastic resin, and fiber-reinforced plastic 日铁化学材料株式会社 2025-02-28 CN disclosed
WO-2023167049-A1 EPOXY RESIN COMPOSITION, REINFORCING FIBER-CONTAINING EPOXY RESIN COMPOSITION, PREPREG, FIBER REINFORCED PLASTIC EMPLOYING SAME, AND THERMOPLASTIC EPOXY RESIN 日鉄ケミカル&マテリアル株式会社 2023-09-07 WO disclosed
CN-116606292-A Pyrido [1,2-a ] pyrimidinone derivatives containing sulfonamide unit, preparation method and application thereof 贵州大学 2023-08-18 CN disclosed
CN-114539137-B Chiral alpha-heteroaryl amine and preparation method thereof 河北工业大学 2023-06-23 CN disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
CN-113336750-B Dithioacetal-containing pyridopyrimidone derivative and preparation and application thereof 贵州大学 2022-06-07 CN disclosed
CN-114539137-A Chiral alpha- (hetero) arylamines and preparation method thereof 河北工业大学 2022-05-27 CN disclosed
CN-113336750-A Dithioacetal-containing pyridopyrimidone derivative and preparation and application thereof 贵州大学 2021-09-03 CN disclosed
WO-2001074775-A1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-10-11 WO disclosed
WO-2001023357-A2 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC. (US) 2001-04-05 WO disclosed
US-6069247-A REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
EP-0949230-A1 PROCESSES FOR PRODUCING ALKENYL-SUBSTITUTED AROMATIC HYDROCARBONS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-10-13 EP disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
US-5917038-A REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 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 CYP2C19 930/4885CYP1A2 2869/4885CXCR4 508/4885

“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.