SCHEMBL6483147

SCHEMBL6483147

COC(=O)C1=C(C2CCCC2)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 4/20 0.51
CASP1 P29466 4/20 0.51
CASP7 P55210 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
GLA P06280 1/20 0.51
KLK7 P49862 1/20 0.51
NOTCH1 P46531 5/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
CCNA1 P78396 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
ALDH1A1 P00352 9/20 0.48

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
SCHEMBL8142340 0.85 KDM4E (0.48) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL12135870 0.84 KDM4E (0.70) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL994405 0.81 GSK3A (0.49) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL8559118 0.80 NOTCH1 (0.45) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL12135877 0.76 KDM4E (0.73) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL7120027 0.75 ALDH1A1 (0.44) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL16854540 0.74 NOTCH1 (0.75) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL1355090 0.74 KDM4E (0.70) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL12135876 0.74 KDM4E (0.70) KDM4EHPGDHSD17B10CASP1CASP7
SCHEMBL14491044 0.74 GSK3A (0.49) KDM4EHPGDHSD17B10CASP1CASP7

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-6897317-B2 4-Phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein BAYER AKTIENGESELLSCHAFT (DE) 2005-05-24 US disclosed
US-20030232990-A1 4-Phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein BAYER AKTIENGESELLSCHAFT 2003-12-18 US disclosed
US-6562976-B2 Such as methyl-2-cyclopentyl-4-(4-fluorophenyl)-5-oxo-7,7-dimethyl-1,4,5,6,7,8 -hexahydroquinoline-3-carboxylate for treatment of arteriosclerosis and dyslipidaemias; condensation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
US-20020165252-A1 4-phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein BAYER AKTIENGESELLSCHAFT 2002-11-07 US disclosed
US-20020042515-A1 Tetrahydroquinolines SCHMIDT GUNTER (DE) 2002-04-11 US disclosed
US-6291477-B1 Tetrahydroquinolines, processes for their preparation, pharmaceutical compositions containing them, and their use to prevent or treat hyperlipoproteinaemia BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 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 (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-20020042515-A1 Tetrahydroquinolines HMGCR, DHCR7, LIPA KDM4E 1903/4885HPGD 361/4885HSD17B10 42/4885
US-20020165252-A1 4-phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein CETP, LCAT, ACAT2 KDM4E 2241/4885HPGD 973/4885HSD17B10 69/4885
US-20030232990-A1 4-Phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein CETP, LCAT, ACAT2 KDM4E 2191/4885HPGD 952/4885HSD17B10 73/4885

“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.