SCHEMBL2462870

SCHEMBL2462870

COC(=O)Nc1ccccc1CO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL29960499 1.00 HPGD (0.56) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL9587541 0.87 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL1836106 0.87 L3MBTL1 (0.51) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL14559775 0.84 ALDH1A1 (0.54) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL2463257 0.84 HPGD (0.46) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL8173356 0.84 ALDH1A1 (0.46) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL7209100 0.84 HPGD (0.46) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL646870 0.83 ALDH1A1 (0.50) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL29729975 0.83 ALDH1A1 (0.50) HPGDALDH1A1NPC1RAB9ALMNA
SCHEMBL194382 0.82 NR1H4 (0.56)

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
US-8022218-B2 Hypogonadism; N-{3-[2-Bromo-4-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-6-ethoxy-phenoxymethyl]-phenyl}-3,4,5-trimethoxy-benzamide; low molecular weight hormone mimetics; selective Follicle Stimulating Hormone receptor agonists N.V. ORGANON (NL) 2011-09-20 US disclosed
US-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility N.V. ORGANON (NL) 2008-11-06 US disclosed
EP-1881830-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-10-08 EP disclosed
EP-1881830-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-30 EP disclosed
WO-2006117368-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 WO disclosed
US-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0268989-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP 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-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility CATSPER1, ABCB11, ACR HPGD 3408/4885ALDH1A1 79/4885NPC1 462/4885

“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.