SCHEMBL5179556

SCHEMBL5179556

OCCCNc1cccc(Oc2cc(Br)ccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDR P35968 2/20 0.38
TSPO P30536 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
GRK2 P25098 1/20 0.35
BRAF P15056 1/20 0.34
MAP2K7 O14733 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A4 P31645 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3284541 0.81 KCNH3 (0.39) MTNR1AMTNR1BKDRKCNH3KMT2A
SCHEMBL11114277 0.77 ALDH1A1 (0.54) MTNR1AMTNR1BKDRKCNH3KMT2A
SCHEMBL11113673 0.76 ALDH1A1 (0.46) KCNH3KMT2AATMALDH1A1
SCHEMBL17608977 0.73 MAOB (0.44) KDRSLC6A4
SCHEMBL10126711 0.73 MTNR1A (0.63) MTNR1AMTNR1BKDRKMT2AALDH1A1
SCHEMBL2537295 0.72 ALDH1A1 (0.53) KCNH3KMT2AALDH1A1
SCHEMBL5669941 0.71 SLC6A4 (0.50) SLC6A4
SCHEMBL5180640 0.71 MAPT (0.51) KMT2AATMALDH1A1SLC6A4SMN1; SMN2
SCHEMBL20961730 0.70 ALDH1A1 (0.51) KCNH3KMT2AALDH1A1
SCHEMBL9318461 0.70 SLC6A4 (0.49) SLC6A4

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 43 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-6677382-B1 HALOGENATED OXYAMINES, USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS, AND AS ANTILIPEMIC AGENTS PHARMACIA CORPORATION 2004-01-13 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-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-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-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 MTNR1A 3909/4885MTNR1B 3383/4885KDR 2264/4885

“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.