SCHEMBL6202191

SCHEMBL6202191

CC(C)(C)OC(=O)NC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
EPHX2 P34913 1/20 0.46
MAPT P10636 2/20 0.46
ALOX5 P09917 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PNMT P11086 9/20 0.45
ADRA2A P08913 5/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL8008337 0.82 CA1 (0.59) PNMTADRA2AADRA2BADRA2CCA12
SCHEMBL3803914 0.82 CA1 (0.59) PNMTADRA2AADRA2BADRA2CCA12
SCHEMBL8370641 0.81 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL20826329 0.80 EPHX2 (0.51) DRD2EPHX2CA12CA1CA2
SCHEMBL390212 0.80 EPHX2 (0.51) DRD2EPHX2CA12CA1CA2
SCHEMBL3441770 0.79 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL6558753 0.79 CA12 (0.61) PNMTADRA2AADRA2BADRA2CCA12
SCHEMBL5598167 0.79 EPHX2 (0.50) DRD2EPHX2CA12CA1CA2
SCHEMBL31324550 0.79 EPHX2 (0.50) EPHX2CA12CA1CA2CA7
SCHEMBL1545000 0.79 EPHX2 (0.50) DRD2EPHX2NPC1RAB9ASMN1; SMN2

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-2014145512-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed
EP-1259484-B1 CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION NOVARTIS AG (CH) 2005-05-18 EP disclosed
US-6878707-B2 Carboxamides useful as inhibitors of microsomal triglyceride transfer protein and of apolipoprotein b secretion NOVARTIS AG (CH) 2005-04-12 US disclosed
US-20030109700-A1 Carboxamides useful as inhinitors of microsomal triglyceride transfer protein and of apolipoprotein b secretion NOVARTIS AG (CH) 2003-06-12 US disclosed
EP-1259484-A1 CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION Novartis AG (CH) 2002-11-27 EP disclosed
WO-2001053260-A1 CARBOXAMIDES USEFUL AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND OF APOLIPOPROTEIN B SECRETION NOVARTIS AG (CH) 2001-07-26 WO disclosed
EP-1097129-A1 N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-05-09 EP disclosed
US-6197798-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN NOVARTIS AG (CH) 2001-03-06 US disclosed
WO-2001005767-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2001-01-25 WO disclosed
WO-2000005201-A1 N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-02-03 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-20030109700-A1 Carboxamides useful as inhinitors of microsomal triglyceride transfer protein and of apolipoprotein b secretion APOB, CETP, MTTP DRD2 1004/4885EPHX2 1849/4885MAPT 4444/4885

“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.