SCHEMBL3279463

SCHEMBL3279463

Cc1cc([C]=O)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.37
PTGS2 P35354 3/20 0.36
TSHR P16473 2/20 0.35
PTGS1 P23219 1/20 0.35
PIM1 P11309 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DAO P14920 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL1044275 0.82 HDAC1 (0.41) GRM5MEN1KMT2AACHEDAO
SCHEMBL97003 0.78 GRM5 (0.46) GRM5KMT2ASMN1; SMN2
SCHEMBL98096 0.78 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1ACHETSHR
SCHEMBL532567 0.77 EGLN2 (0.48) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL9996657 0.77 GRM5 (0.44) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL16951938 0.77 GRM5 (0.44) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL1477519 0.77 GRM5 (0.44) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL7996636 0.76 GRM5 (0.50) GRM5MEN1KMT2AATML3MBTL1
SCHEMBL7786851 0.74 TRPA1 (0.32)
SCHEMBL3035956 0.74 MAPT (0.35) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US claimed
US-6861561-B2 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G. D. SEARLE & CO. (US) 2005-03-01 US claimed
US-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC 2005-02-24 US claimed
US-6803388-B2 TREATING ATHEROSCLEROSIS AND CORONARY ARTERY DISEASES; STEREOSELECTIVE; CHEMICAL INTERMEDIATES PFIZER, INC. 2004-10-12 US claimed
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US claimed
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 claimed
US-6723752-B2 ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION 2004-04-20 US claimed
US-6723753-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PHARMACIA CORPORATION 2004-04-20 US claimed
US-6710089-B2 ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS; ANTICHOLESTEROL AGENTS PHARMACIA CORPORATION 2004-03-23 US claimed
US-20040044048-A1 (R)-chiral halogenated 1-substitutedamino-(n+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2004-03-04 US claimed
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 claimed
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 claimed
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 claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US claimed
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 claimed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
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 claimed

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-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP GRM5 4696/4885MEN1 4267/4885KMT2A 3496/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP GRM5 4682/4885MEN1 4405/4885KMT2A 3677/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI GRM5 3991/4885MEN1 3435/4885KMT2A 3370/4885
US-20040044048-A1 (R)-chiral halogenated 1-substitutedamino-(n+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP GRM5 4818/4885MEN1 3246/4885KMT2A 4007/4885

“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.