SCHEMBL4178666

SCHEMBL4178666

NC(=O)C1c2cc[c]cc2CCN1Cc1ncn[nH]1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL2838991 0.83 ALOX15 (0.36)
SCHEMBL6970691 0.81 KDM4E (0.32) HDAC6
SCHEMBL2846342 0.80
SCHEMBL6967724 0.79
SCHEMBL6972428 0.78 DRD2 (0.35)
SCHEMBL6964458 0.78 LMNA (0.43) HDAC3HDAC6
SCHEMBL6966047 0.78 ESR1 (0.37) HDAC3NCOR2
SCHEMBL6957978 0.78 SIRT1 (0.41)
SCHEMBL6963063 0.77 CYP3A4 (0.35)
SCHEMBL6962637 0.77 GAA (0.39) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008072061-A1 METHOD OF TREATMENT OF OBESITY WITH AN MTP INHIBITOR IN CONJUNCTION WITH AN INCREASED-FAT DIET PFIZER PRODUCTS INC. (US) 2008-06-19 WO claimed
US-20090209492-A1 Lipase Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2009-08-20 US disclosed
WO-2008072061-A1 METHOD OF TREATMENT OF OBESITY WITH AN MTP INHIBITOR IN CONJUNCTION WITH AN INCREASED-FAT DIET PFIZER PRODUCTS INC. (US) 2008-06-19 WO disclosed
EP-1824861-A2 LIPASE INHIBITORS Trustees of the Tufts College (US) 2007-08-29 EP disclosed
WO-2006053250-A2 LIPASE INHIBITORS TRUSTEES OF TUFTS COLLEGE (US) 2006-05-18 WO disclosed
EP-0902785-B1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER (US) 2002-09-04 EP disclosed
US-5998623-A Process and intermediates for preparing 4'-trifluoromethylbiphenyl-2-carboxylic acid [2-(2H-[1,2,4]triazol-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-yl]-a mide PFIZER INC. (US) 1999-12-07 US disclosed
EP-0902785-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1999-03-24 EP disclosed
WO-1997041111-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID [2-(2H-[1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1997-11-06 WO disclosed
WO-1997041111-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID [2-(2H-[1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1997-11-06 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-20090209492-A1 Lipase Inhibitors LIPG, LPL, PNLIP HDAC3 2563/4885HDAC6 2218/4885NCOR2 2196/4885

“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.