SCHEMBL4132096

SCHEMBL4132096

CCOC(=O)C(C)c1ccc2nc(N)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
SCN4A P35499 1/20 0.59
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.46
SHMT2 P34897 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CD O00329 2/20 0.45
PIK3CA P42336 2/20 0.45
PI4KA P42356 2/20 0.45

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
SCHEMBL13799596 0.87 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL27527540 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2SCN4AALDH1A1
SCHEMBL74053 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2SCN4AALDH1A1
SCHEMBL15887354 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2SCN4AALDH1A1
SCHEMBL4294190 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4148882 0.79 ALDH1A1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10608234 0.78 RAB9A (0.51) RAB9ANPC1SMN1; SMN2SCN4AALDH1A1
SCHEMBL73574 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10608462 0.77 CYP17A1 (0.51) RAB9ANPC1SMN1; SMN2SCN4AALDH1A1
SCHEMBL19216330 0.76 RAB9A (0.71) RAB9ANPC1SMN1; SMN2SCN4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
US-4762840-A ANTIASTHMA, BRONCHITIS ROUSSEL UCLAF (FR) 1988-08-09 US 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 RAB9A 2031/4885NPC1 693/4885SMN1; SMN2 3235/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 RAB9A 1967/4885NPC1 676/4885SMN1; SMN2 3189/4885

“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.