SCHEMBL2844016

SCHEMBL2844016

CC(=O)NCCN1CCc2c[c]ccc2C1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.38
MTNR1B P49286 11/20 0.31
NQO2 P16083 3/20 0.31
MAPK1 P28482 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL14775460 0.82 OPRM1 (0.36)
SCHEMBL2844323 0.80 HRH2 (0.32)
SCHEMBL4748761 0.78 MAOA (0.32)
SCHEMBL4514757 0.78 OPRK1 (0.32)
Hydrochloric Acid SCHEMBL4521946 0.77 MAOA (0.31)
Hydrochloric Acid SCHEMBL4504167 0.77 OPRK1 (0.32)
SCHEMBL6961084 0.77 PRCP (0.39) MAPK1
SCHEMBL6960867 0.76 PARP1 (0.36)
SCHEMBL3873900 0.76 SIRT1 (0.40) MTNR1B
SCHEMBL6966047 0.76 ESR1 (0.37)

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 97 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-2000017164-A1 4-CARBOXYAMINO-2-SUBSTITUTED-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
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 MTNR1A 4048/4885MTNR1B 3801/4885NQO2 1177/4885
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 MTNR1A 2450/4885MTNR1B 1577/4885NQO2 2966/4885

“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.