SCHEMBL6484099

SCHEMBL6484099

COC(=O)c1c(C2CCCC2)nc2c(c1-c1ccc(F)cc1)C(=O)CC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.46
CETP P11597 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.38
ALPL P05186 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GCGR P47871 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL8129664 0.85 MAPT (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL6476093 0.83 CETP (0.59) CETP
SCHEMBL993541 0.82 CETP (0.57) CETP
SCHEMBL7123071 0.79 ALPL (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL6475752 0.77 CETP (0.47) CETPGCGR
SCHEMBL6040442 0.76 CETP (0.67) CETP
SCHEMBL14491048 0.74 CETP (0.58) CETP
SCHEMBL7979351 0.73 LMNA (0.80) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL6476598 0.73 CETP (0.70) CETP
SCHEMBL6475334 0.73 CETP (0.55) CETP

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 CYP1A2 238/4885CYP2C9 644/4885CYP2C19 567/4885
US-20020165252-A1 4-phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein CETP, LCAT, ACAT2 CYP1A2 1146/4885CYP2C9 1644/4885CYP2C19 1597/4885
US-20030232990-A1 4-Phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein CETP, LCAT, ACAT2 CYP1A2 1227/4885CYP2C9 1773/4885CYP2C19 1707/4885

“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.