SCHEMBL5207968

SCHEMBL5207968

CCCCCCN(CC(O)C(F)(F)F)c1ccccc1OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CETP P11597 1/20 0.37
PSEN1 P49768 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
SCHEMBL5207853 0.86 CETP (0.47) CETP
SCHEMBL3318026 0.78 CETP (0.61) CETP
SCHEMBL7696097 0.74 CETP (0.52) CETP
SCHEMBL29767665 0.73 ALDH1A1 (0.42) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL13568702 0.73 CYP1A2 (0.53) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9879637 0.71 ALDH1A1 (0.43) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL10490480 0.70 MEN1 (0.51) PPARGMEN1KMT2ANR1I2LMNA
SCHEMBL5214560 0.70 CETP (0.57) CETP
SCHEMBL5207904 0.69 CES2 (0.33) HTT
SCHEMBL11923822 0.69 ALDH1A1 (0.47) CHRM2CYP3A4ALDH1A1PPARA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP disclosed
EP-1115693-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-05-02 EP disclosed
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-6723753-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PHARMACIA CORPORATION 2004-04-20 US disclosed
US-6710089-B2 ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS; ANTICHOLESTEROL AGENTS PHARMACIA CORPORATION 2004-03-23 US disclosed
US-6699898-B2 METHOD OF TREATING CORONARY ARTERY DISEASE OR OTHER CETP-MEDIATED DISORDERS IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF ONE OF CLAIMS PHARMACIA CORPORATION GLOBAL PATENT DEPARTMENT 2004-03-02 US disclosed
US-6696435-B2 FOR TREATING ATHEROSCLEROSIS, OTHER CORONARY ARTERY DISEASES; 3-((3-(3-TRIFLUOROMETHOXYPHENOXY)PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY) -PHENYL)METHYL) AMINO)-1,1,1-TRIFLUORO-2-PROPANOL FOR EXAMPLE PHARMACIA CORPORATION 2004-02-24 US disclosed
US-6696472-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-02-24 US disclosed
US-6683099-B2 FOR THERAPY OF ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-01-27 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-6458803-B1 COMPOSITIONS AND METHODS FOR TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PREFERRED TERTIARY-HETEROALKYLAMINE COMPOUNDS ARE SUBSTITUTED N-PHENYL-N-HETEROARALKYL AMINOALCOHOLS. A PREFERRED SPECIFIC G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458852-B1 A METHOD OF TREATING OR PREVENTING A CETP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458849-B1 METHOD OF TREATING OR PREVENTING A CEIP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND FOR STROKES G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6455519-B1 TREATING ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-09-24 US disclosed
US-6451830-B1 Use of substituted N,N-disubstituted non-fused heterocyclo amino compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6451823-B1 Use of substituted N-phenoxy-N-phenyl aminoalcohol compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 US disclosed
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-08-29 US disclosed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI PPARG 2085/4885MEN1 3435/4885KMT2A 3370/4885

“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.