SCHEMBL5632003

SCHEMBL5632003

CC(C)(C)OC(=O)N=C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSK P43235 11/20 0.44
CTSS P25774 5/20 0.44
CAPN1 P07384 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
PPARA Q07869 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL15124799 1.00 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL8353739 1.00 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL15124794 1.00 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL22473734 1.00 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3439703 1.00 MEN1 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL21372526 0.96 MEN1 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL16504745 0.96 MEN1 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL16504878 0.96 MEN1 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL15537106 0.96 MEN1 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL20122287 0.96 MEN1 (0.46) MEN1GAAKMT2ACTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613600-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-12-23 EP disclosed
US-7241775-B2 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-10 US disclosed
EP-1613600-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS Sanofi-Aventis Deutschland GmbH (DE) 2006-01-11 EP disclosed
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004085404-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-10-07 WO disclosed
EP-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 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 (1 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-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines CYP27A1, CYP11B2, CYP7A1 MEN1 3067/4885GAA 1155/4885KMT2A 2273/4885

“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.