SCHEMBL2844326

SCHEMBL2844326

CCOCCN1CCc2cc(N)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HRH3 Q9Y5N1 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ABCB1 P08183 3/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
JAK2 O60674 1/20 0.43
FLT3 P36888 1/20 0.43
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL29356237 0.86 ABCB1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1950368 0.86 ABCB1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1950594 0.81 HRH3 (0.50) KDM4EMAPTDRD2DRD3HRH3
SCHEMBL1951288 0.80 ABCB1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22541512 0.80 DRD3 (0.48) DRD2DRD3HRH3ABCB1
SCHEMBL30561518 0.78 NR1H2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20704242 0.78 NR1H2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21412795 0.78 SIGMAR1 (0.59) DRD2DRD3HRH3
SCHEMBL1953020 0.78 DRD2 (0.46) DRD2DRD3ABCB1
SCHEMBL6293957 0.78 DRD2 (0.52) KDM4EMAPTTAAR1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102599-B2 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 COMPANY (US) 2015-08-11 US disclosed
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20130184279-A1 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 COMPANY (US) 2013-07-18 US disclosed
EP-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 EP disclosed
EP-1994015-B1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PROD INC (US) 2013-04-24 EP disclosed
US-8404896-B2 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 COMPANY (US) 2013-03-26 US disclosed
US-8383660-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2013-02-26 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-6207664-B1 USEFUL AS HYPOCHOLESTEROLEMIC AGENTS, HYPOTRIGLYCERIDEMIC AGENTS, HYPOTRIGLYCERIDEMIC AGENTS, ANTIATHEROSCLEROSIS AGENTS, ANTIFUNGAL AGENTS, ANTI-ALZHEIMER'S AGENTS OR ANTI-ACNE AGENTS PFIZER INC. 2001-03-27 US disclosed
US-6197786-B1 ANTICHOLESTEROL AGENTS PFIZER INC 2001-03-06 US disclosed
US-6147090-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS USED TO TREAT DISEASES WHICH ARE EXACERBATED BY LOW LEVELS OF HDL CHOLESTEROL AND/OR HIGH LEVELS OF LDL-CHOLESTEROL AND TRIGLYCERIDES, SUCH AS ATHEROSCLEROSIS AND CARDIOVASCULAR PFIZER INC. (US) 2000-11-14 US disclosed
US-6147089-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS USED TO TREAT DISEASES WHICH ARE EXACERBATED BY LOW LEVELS OF HDL CHOLESTEROL AND/OR HIGH LEVELS OF LDL-CHOLESTEROL AND TRIGLYCERIDES, SUCH AS ATHEROSCLEROSIS AND CARDIOVASCULAR PFIZER INC. (US) 2000-11-14 US disclosed
US-6140342-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR; USED TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN OTHER PLASMA LIPID LEVELS, SUCH AS LDL-CHOLESTEROL AND TRIGLYCERIDES PFIZER INC. (US) 2000-10-31 US disclosed
EP-0992496-A1 Annulated 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors Pfizer Products Inc. (US) 2000-04-12 EP disclosed
WO-2000017166-A1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO disclosed
WO-2000017165-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO disclosed
WO-2000017164-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO disclosed
EP-0987251-A1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors Pfizer Products Inc. (US) 2000-03-22 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 (2 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-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP1A2 603/4885CYP3A4 537/4885CYP2D6 993/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 CYP1A2 997/4885CYP3A4 773/4885CYP2D6 2036/4885

“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.