SCHEMBL6890131

SCHEMBL6890131

OC(Cc1cccc(OCC2CCCCC2)c1)(NCc1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.56
PDK2 Q15119 2/20 0.38
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL5240647 0.81 CETP (0.44) CETP
SCHEMBL7197114 0.81 CETP (0.42) CETP
SCHEMBL6890134 0.77 CETP (0.59) CETPKDM5AKDM4C
SCHEMBL5671682 0.75 CETP (0.48) CETPPDK2SIRT2
SCHEMBL994663 0.72 CETP (1.00) CETP
SCHEMBL992527 0.72 CETP (1.00) CETP
SCHEMBL7165910 0.72 CETP (0.63) CETP
SCHEMBL4572144 0.70 SIRT2 (0.48) CETPKDM5AKDM4CSIRT2
SCHEMBL25818867 0.70 HTR2C (0.50) KDM5AKDM4CSIRT2
SCHEMBL22957771 0.68 KDM5A (0.49) KDM5AKDM4C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765023-B2 SUCH AS 3-((3-(3-TRIFLUOROMETHOXYPHENOXY)PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY) -PHENYL)METHYL) AMINO)-1,1,1-TRIFLUORO-2-PROPANOL FOR TREATING CARDIOVASCULAR DISORDERS AND DYSLIPIDEMIA PFIZER, INC. 2004-07-20 US disclosed
US-6710089-B2 ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS; ANTICHOLESTEROL AGENTS PHARMACIA CORPORATION 2004-03-23 US disclosed
US-6677379-B2 SUCH AS 3-((3-(3-TRIFLUOROMETHOXYPHENOXY)PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY) -PHENYL)METHYL) AMINO)-1,1,1-TRIFLUORO-2-PROPANOL FOR TREATMENT OF CORONARY ARTERY DISEASE PHARMACIA CORPORATION 2004-01-13 US disclosed
US-6586433-B2 Anticholesterol agents; antilipemic agents; cardiovascular disorders PHARMACIA CORPORATION 2003-07-01 US disclosed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 US disclosed
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-29 US disclosed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US disclosed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 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 (4 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-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CETP 1/4885PDK2 4224/4885KDM5A 3562/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CETP 1/4885PDK2 4224/4885KDM5A 3562/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP CETP 1/4885PDK2 3979/4885KDM5A 4208/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CETP 1/4885PDK2 4224/4885KDM5A 3562/4885

“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.