SCHEMBL474074

SCHEMBL474074

O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1OCC(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTTP P55157 11/20 0.78
CHRM2 P08172 1/20 0.78
ADRA2A P08913 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
CHRM1 P11229 1/20 0.78
DRD1 P21728 1/20 0.78
TBXA2R P21731 1/20 0.78
PTGS1 P23219 1/20 0.78
SLC6A2 P23975 1/20 0.78
ADRA1A P35348 1/20 0.78
OPRM1 P35372 1/20 0.78
DRD3 P35462 1/20 0.78
SLC6A3 Q01959 1/20 0.78
KCNH2 Q12809 1/20 0.78
MTR Q99707 1/20 0.78

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
SCHEMBL27595553 0.91 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6186544 0.90 MTTP (0.72) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL1395278 0.89 MTTP (0.80) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7157393 0.89 MTTP (0.70) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL4787373 0.88 MTTP (0.63) MTTPCHRM2ADRA2AADORA3CHRM1
Lomitapide SCHEMBL29355521 0.88 MTTP (1.00) MTTPCHRM2ADRA2AADORA3CHRM1
Lomitapide SCHEMBL304604 0.88 MTTP (1.00) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6191521 0.87 MTTP (0.77) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6188141 0.86 MTTP (0.85) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6603726 0.86 MTTP (0.85) MTTPCHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951844-B2 Phenyl naphthol ligands for thyroid hormone receptor BRISTOL MYERS SQUIBB COMPANY (US) 2005-10-04 US claimed
US-9796720-B2 Imidazole-derived modulators of the glucocorticoid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9593113-B2 Imide and acylurea derivatives as modulators of the glucocorticoid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-14 US disclosed
US-20160200728-A1 IMIDAZOLE-DERIVED MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-07-14 US disclosed
US-20160185776-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 US disclosed
WO-2016059378-A1 PARTICULATE PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS OF SAXAGLIPTIN AND METHODS FOR MAKING THE SAME ASTRAZENECA AB (SE) 2016-04-21 WO disclosed
EP-2995615-A1 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2016-03-16 EP disclosed
EP-2272825-B1 Protected amino hydroxy adamantane carboxylic acid and process for its preparation ASTRAZENECA AB (SE) 2015-11-04 EP disclosed
EP-2044040-B1 1,3-OXAZOLE DERIVATIVES USEFUL AS ANTI-ATHEROSCLEROTIC, ANTI-DYSLIPIDEMIC, ANTI-DIABETIC AND ANTI-OBESITY AGENTS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
WO-2015027021-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-26 WO disclosed
EP-1024804-A4 MTP INHIBITORS AND FAT SOLUBLE VITAMIN THERAPEUTIC COMBINATIONS TO LOWER SERUM LIPID LEVELS BRISTOL MYERS SQUIBB CO (US) 2001-03-21 EP disclosed
EP-1024804-A1 MTP INHIBITORS AND FAT SOLUBLE VITAMIN THERAPEUTIC COMBINATIONS TO LOWER SERUM LIPID LEVELS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-09 EP disclosed
EP-0989852-A1 METHOD FOR TREATING ATHEROSCLEROSIS WITH AN MPT INHIBITOR AND CHOLESTEROL LOWERING DRUGS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-05 EP disclosed
EP-0886637-A4 1998-12-30 EP disclosed
EP-0886637-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-30 EP disclosed
WO-1998050028-A1 MTP INHIBITORS AND FAT SOLUBLE VITAMIN THERAPEUTIC COMBINATIONS TO LOWER SERUM LIPID LEVELS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-12 WO disclosed
WO-1998031367-A1 METHOD FOR TREATING ACID LIPASE DEFICIENCY DISEASES WITH AN MTP INHIBITOR AND CHOLESTEROL LOWERING DRUGS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-23 WO disclosed
WO-1998031366-A1 METHOD FOR TREATING ATHEROSCLEROSIS WITH AN MPT INHIBITOR AND CHOLESTEROL LOWERING DRUGS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-23 WO disclosed
WO-1998031225-A1 A METHOD OF INHIBITING OR TREATING PHYTOSTEROLEMIA WITH AN MTP INHIBITOR BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-23 WO disclosed
WO-1996026205-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-29 WO 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-20160200728-A1 IMIDAZOLE-DERIVED MODULATORS OF THE GLUCOCORTICOID RECEPTOR NFKBIA, NFRKB, NFKB1 MTTP 1946/4885CHRM2 3560/4885ADRA2A 1584/4885
US-20160185776-A1 IMIDE AND ACYLUREA DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR NFKBIA, IKBKB, NFRKB MTTP 904/4885CHRM2 4374/4885ADRA2A 2028/4885

“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.