SCHEMBL22002

SCHEMBL22002

[C]1C=Nc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.42
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22001 0.60 TRPA1 (0.43) TRPA1CYP1A2CYP2D6MEN1MAPT
SCHEMBL6804256 0.60 TRPA1 (0.43) TRPA1CYP1A2CYP2D6MEN1MAPT
Dibenzo[B,F][1,4]Oxazepine SCHEMBL123289 0.59 TRPA1 (1.00) TRPA1CYP1A2CYP2D6MEN1MAPT
SCHEMBL27882257 0.59 TRPA1 (0.42) TRPA1CYP1A2CYP2D6MEN1MAPT
SCHEMBL224636 0.59 TRPA1 (0.42) TRPA1CYP1A2CYP2D6MEN1MAPT
SCHEMBL13996942 0.59 TRPA1 (0.57) TRPA1CYP1A2CYP2D6MEN1MAPT
SCHEMBL11767356 0.59 TRPA1 (0.52) TRPA1CYP1A2CYP2D6MAPT
SCHEMBL25520 0.59 TRPA1 (0.52) TRPA1CYP1A2CYP2D6MEN1MAPT
SCHEMBL18918647 0.58 TRPA1 (0.41) TRPA1CYP1A2CYP2D6
SCHEMBL692060 0.58 TRPA1 (0.41) TRPA1CYP1A2CYP2D6

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 1116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US claimed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US claimed
EP-2228375-A1 New xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-09-15 EP claimed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
US-20100099670-A1 Benzoquinazoline derivatives WIDLER LEO 2010-04-22 US claimed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
EP-2106400-A2 BENZOQUINAZOLE DERIVATIVES Novartis AG (CH) 2009-10-07 EP claimed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 WO claimed
EP-1390361-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-02-25 EP claimed
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PFIZER PRODUCTS INC. 2003-07-31 US claimed
US-20030109556-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-06-12 US claimed
US-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 US claimed
EP-1280782-A2 NOVEL BENZOXAZINONES AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA MODULATORS AND METHOD OF TREATMENT Ortho-McNeil Pharmaceutical, Inc. (US) 2003-02-05 EP claimed
WO-2002085925-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-10-31 WO claimed
WO-2001087860-A2 NOVEL BENZOXAZINONES AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA MODULATORS AND METHOD OF TREATMENT ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO claimed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP claimed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 TRPA1 2414/4885CYP1A2 199/4885CYP2D6 15/4885
US-20030109556-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R TRPA1 915/4885CYP1A2 1953/4885CYP2D6 990/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 TRPA1 3114/4885CYP1A2 201/4885CYP2D6 165/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 TRPA1 4515/4885CYP1A2 262/4885CYP2D6 507/4885
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PDE12, PDE4A, PDE4B TRPA1 3023/4885CYP1A2 188/4885CYP2D6 545/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR TRPA1 1761/4885CYP1A2 458/4885CYP2D6 1431/4885
US-20100099670-A1 Benzoquinazoline derivatives ABCG2, UGT2B7, CYP3A7 TRPA1 2765/4885CYP1A2 24/4885CYP2D6 12/4885

“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.