SCHEMBL2844019

SCHEMBL2844019

CC(=O)NCCN1CCc2cc(N)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSD17B3 P37058 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
OPRM1 P35372 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABCB1 P08183 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44

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
SCHEMBL20909873 0.86 SIGMAR1 (0.58) SIGMAR1DRD2DRD3MEN1TP53
SCHEMBL28752685 0.85 DRD2 (0.49) SIGMAR1DRD2DRD3MEN1TP53
SCHEMBL20884113 0.84 MEN1 (0.58) SIGMAR1DRD2DRD3MEN1TP53
SCHEMBL20884601 0.82 ACACB (0.53) SIGMAR1DRD2DRD3MEN1TP53
SCHEMBL13135946 0.82 ALOX15 (0.62) SIGMAR1DRD2DRD3MEN1TP53
SCHEMBL6500851 0.81 ALDH1A1 (0.59) SIGMAR1DRD2MAPTABCB1ABCG2
SCHEMBL22549230 0.81 SIGMAR1 (0.58) SIGMAR1DRD2DRD3MEN1TP53
SCHEMBL1953020 0.78 DRD2 (0.46) SIGMAR1DRD2DRD3HSD17B3ABCB1
SCHEMBL20889848 0.78 KDM4E (0.59) SIGMAR1DRD2DRD3MEN1TP53
SCHEMBL20883850 0.78 ACACB (0.47) SIGMAR1DRD2DRD3MEN1TP53

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
EP-1951675-B1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-03-20 EP 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
EP-1114031-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 EP 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-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 SIGMAR1 782/4885DRD2 4615/4885DRD3 4161/4885
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 SIGMAR1 568/4885DRD2 2741/4885DRD3 1874/4885

“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.