SCHEMBL6476131

SCHEMBL6476131

CC1(C)CC(=O)C2=C(C1)NC(C1CCCC1)=C(C(=O)c1ccc(C(F)(F)F)cc1)C2c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 4/20 0.48
GSK3A P49840 3/20 0.45
CETP P11597 9/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 2/20 0.41
ABCC9 O60706 2/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40

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
SCHEMBL994405 0.91 GSK3A (0.49) NOTCH1GSK3ACETPMEN1KMT2A
SCHEMBL14491044 0.87 GSK3A (0.49) NOTCH1GSK3ACETPMEN1KMT2A
SCHEMBL5341468 0.85 KDM4E (0.51) NOTCH1GSK3ACETPMEN1KMT2A
SCHEMBL4578818 0.82 CETP (0.44) NOTCH1GSK3ACETPMEN1KMT2A
SCHEMBL713237 0.81 CETP (0.44) NOTCH1GSK3ACETPMEN1KMT2A
SCHEMBL8559118 0.75 NOTCH1 (0.45) NOTCH1GSK3AMEN1KMT2AGSK3B
SCHEMBL8177810 0.74 ABCC9 (0.59) GSK3AMEN1KMT2AGSK3BABCC9
SCHEMBL6483147 0.72 KDM4E (0.52) NOTCH1GSK3AMEN1KMT2AGSK3B
SCHEMBL970677 0.72 GSK3A (0.49) NOTCH1GSK3AMEN1KMT2AGSK3B
SCHEMBL4579894 0.71 CETP (0.41) 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 NOTCH1 2166/4885GSK3A 3545/4885CETP 7/4885
US-20020165252-A1 4-phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein CETP, LCAT, ACAT2 NOTCH1 3411/4885GSK3A 3448/4885CETP 1/4885
US-20030232990-A1 4-Phenyltetrahydrochinoline utilized as an inhibitor of the cholesterol ester transfer protein CETP, LCAT, ACAT2 NOTCH1 3289/4885GSK3A 3477/4885CETP 1/4885

“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.