SCHEMBL5202044

SCHEMBL5202044

CCCCCN(CCCCC)CC(O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GGPS1 O95749 3/20 0.33
DNM1 Q05193 3/20 0.33
CETP P11597 2/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
FAAH O00519 5/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CES1 P23141 3/20 0.31
CES2 O00748 1/20 0.31
CYP1A2 P05177 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3320341 1.00 KDM4E (0.34) KDM4EMAPK1TDP1GGPS1DNM1
SCHEMBL5204920 0.98 DNM1 (0.37) KDM4EMAPK1TDP1GGPS1DNM1
SCHEMBL5207642 0.98 DNM1 (0.37) KDM4EMAPK1TDP1GGPS1DNM1
SCHEMBL3313375 0.98 DNM1 (0.37) KDM4EMAPK1TDP1GGPS1DNM1
SCHEMBL7105830 0.84 TSHR (0.32) GGPS1PLA2G1BPLA2G2AFAAH
SCHEMBL3320507 0.83 DNM1 (0.34) KDM4EMAPK1TDP1GGPS1DNM1
SCHEMBL5203577 0.83 PLA2G1B (0.38) GGPS1DNM1PLA2G1BPLA2G2AFAAH
SCHEMBL3315600 0.83 PLA2G1B (0.38) GGPS1DNM1PLA2G1BPLA2G2AFAAH
SCHEMBL11699013 0.77 KDM4E (0.44) KDM4EMAPK1TDP1GGPS1DNM1
SCHEMBL25178946 0.76 CETP (0.40) CETPPLA2G1BPLA2G2APKM

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 38 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-6677375-B2 TREATING CARDIOVASCULAR DISEASES PHARMACIA CORPORATION 2004-01-13 US disclosed
US-6476057-B1 ANTICHOLESTEROL AGENTS; ANTILIPEMIC AGENTS; CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-11-05 US disclosed
US-6476075-B1 Use of substituted N, N-bis-benzyl aminoalcohol compounds inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-11-05 US disclosed
US-6462092-B1 SUCH AS 3-((3-FLUOROPHENYL)-((3-(TRIFLUOROMETHYL)PHENYL)-METHYL)AMINO)-1,1,1 -TRIFLUORO-2-PROPANOL; CARDIOVASCULAR DISEASE, I.E. ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES G.D. SEARLE & CO. 2002-10-08 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-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

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 KDM4E 3035/4885MAPK1 3250/4885TDP1 1174/4885

“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.