SCHEMBL690014

SCHEMBL690014

O=C(Nc1ccc2c(c1)CCN(Cc1ncc[nH]1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.52
APOB P04114 9/20 0.50
MTTP P55157 9/20 0.50
KDR P35968 2/20 0.47
SCN9A Q15858 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7041135 0.88 SMO (0.52) SMOAPOBMTTPKDRKDM4E
SCHEMBL6966580 0.87 SCN9A (0.43) SMOAPOBMTTPKDRSCN9A
SCHEMBL8200984 0.85 APOB (0.62) SMOAPOBMTTPKDM4EGAA
SCHEMBL690395 0.85 MTTP (0.51) SMOAPOBMTTPKDRKDM4E
SCHEMBL6501870 0.85 SCN9A (0.42) KDRSCN9AKDM4EALDH1A1LMNA
SCHEMBL8620976 0.84 SMO (0.52) SMOAPOBMTTPKDRKDM4E
SCHEMBL8472753 0.84 SCN9A (0.46) SMOKDRSCN9AKDM4EALDH1A1
SCHEMBL8213404 0.83 MTTP (0.58) SMOAPOBMTTPKDM4EGAA
SCHEMBL8507709 0.83 MTTP (0.58) SMOAPOBMTTPKDM4EGAA
SCHEMBL4742408 0.83 MTTP (0.58) SMOAPOBMTTPKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP claimed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 EP claimed
US-9314438-B2 Elevation of the plasma HDL-cholesterol level AARHUS UNIVERSITET (DK) 2016-04-19 US disclosed
EP-1951690-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-2094643-B1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-20110038827-A1 ELEVATION OF THE PLASMA HDL-CHOLESTEROL LEVEL JEPPESEN, PER BENDIX (DK) 2011-02-17 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7208645-B2 Process for producing 4-(2-methylphenyl)benzotrifluoride SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-24 US disclosed
US-7208645-B2 Process for producing 4-(2-methylphenyl)benzotrifluoride SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-24 US disclosed
US-20060247272-A1 4-Amino Substituted-2-Substituted-1,2,3,4-tetrahydroquinoline Compounds PFIZER INC 2006-11-02 US disclosed
US-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines DENINNO MICHAEL P 2005-11-03 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
US-6140343-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS WHICH ARE USED TO ELEVATE HIGHDENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER LOW DENSITY LIPOPROTEIN-CHOLESTEROL AND TRIGLYCERIDES; FOR TREATING ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, OBESITY PFIZER (US) 2000-10-31 US disclosed
EP-0832069-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1998-04-01 EP 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-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines CETP, APOB, HDLBP SMO 3709/4885APOB 2/4885MTTP 4/4885
US-20060247272-A1 4-Amino Substituted-2-Substituted-1,2,3,4-tetrahydroquinoline Compounds APOB, LDLR, CETP SMO 2581/4885APOB 1/4885MTTP 4/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN SMO 4789/4885APOB 1/4885MTTP 9/4885
US-20110038827-A1 ELEVATION OF THE PLASMA HDL-CHOLESTEROL LEVEL CETP, CYP46A1, NPC1L1 SMO 3747/4885APOB 12/4885MTTP 5/4885

“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.