SCHEMBL4136656

SCHEMBL4136656

CC(C(=O)O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.51
ADRB2 P07550 1/20 0.51
AKR1C3 P42330 8/20 0.50
AKR1C2 P52895 8/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CDC42 P60953 1/20 0.42

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
SCHEMBL15887336 0.91 TSHR (0.51) LMNATSHRADRB2AKR1C3AKR1C2
SCHEMBL28135866 0.89 TSHR (0.53) LMNATSHRADRB2TDP1MEN1
SCHEMBL11462352 0.88 TSHR (0.51) LMNATSHRADRB2TDP1MEN1
SCHEMBL4853197 0.84 ADRB2 (0.54) LMNATSHRADRB2TDP1MEN1
SCHEMBL31212652 0.83 TSHR (0.57) LMNATSHRAKR1C3AKR1C2MEN1
SCHEMBL18458413 0.83 ALDH1A1 (0.49) LMNATSHRAKR1C3AKR1C2MEN1
SCHEMBL286995 0.83 GRM8 (0.50) LMNATSHRAKR1C3AKR1C2KMT2A
SCHEMBL286993 0.83 GRM8 (0.50) LMNATSHRAKR1C3AKR1C2KMT2A
SCHEMBL7604891 0.82 TSHR (0.56) LMNATSHRADRB2TDP1MEN1
SCHEMBL978898 0.82 TSHR (0.59) LMNATSHRADRB2TDP1MEN1

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 22 patents — showing the first 20. 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-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
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
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-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4190665-A ANALGESICS, ANTIINFLAMMATORY AGENTS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1980-02-26 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 LMNA 2841/4885TSHR 1657/4885ADRB2 102/4885
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 LMNA 2911/4885TSHR 1741/4885ADRB2 105/4885

“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.