SCHEMBL2645698

SCHEMBL2645698

CC(=O)c1cccc(N2CCCC2=O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
HPGD P15428 2/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
GAA P10253 2/20 0.68
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TSHR P16473 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
ALOX5 P09917 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
GFER P55789 1/20 0.60

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
SCHEMBL5810612 0.95 ALDH1A1 (0.71) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL2878705 0.91 ALDH1A1 (0.63) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL30281223 0.88 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL351439 0.88 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4723602 0.86 ALDH1A1 (0.80) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL30281308 0.86 ALDH1A1 (0.80) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20794324 0.85 ALDH1A1 (0.78) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL15789002 0.85 ALDH1A1 (0.94) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL743304 0.84 MEN1 (1.00) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL26779866 0.84 ALDH1A1 (0.72) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors ORSOBIO INC (US) 2026-03-19 US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-2145622-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors Glaxo Group Limited (GB) 2010-01-20 EP disclosed
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2009-12-17 US disclosed
EP-1876174-B1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LTD (GB) 2009-11-11 EP disclosed
US-7592346-B2 e.g. 3-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-1,3-oxazolidin-2-one; serotonin receptor antagonist and inverse agonists, agonists or partial agonists, serotonin reuptake inhibitor; antidepressant, anxiolytic agent GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
CN-1852896-A Quinoline and quinazoline derivatives having affinity for 5HT 1-type receptors GLAXO GROUP LTD (GB) 2006-10-25 CN disclosed
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US disclosed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US 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 (8 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-20260078105-A1 Novel Aminocarboxymuconate Semialdehyde Decarboxylase Inhibitors CPT1B, CBR1, MUSK ALDH1A1 290/4885HPGD 431/4885CYP1A2 959/4885
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors OPRK1, OPRL1, OPRD1 ALDH1A1 2366/4885HPGD 2512/4885CYP1A2 869/4885
US-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC ALDH1A1 772/4885HPGD 1821/4885CYP1A2 1967/4885
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS ALDH1A1 848/4885HPGD 1635/4885CYP1A2 2561/4885
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 ALDH1A1 260/4885HPGD 1721/4885CYP1A2 413/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F ALDH1A1 3105/4885HPGD 1481/4885CYP1A2 417/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS ALDH1A1 847/4885HPGD 1212/4885CYP1A2 2768/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F ALDH1A1 1826/4885HPGD 1566/4885CYP1A2 430/4885

“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.