SCHEMBL1375288

SCHEMBL1375288

CN1CCCC1CCCN

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 1/20 0.44
ADRA2A P08913 1/20 0.39

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
SCHEMBL1966053 1.00 CYP1A2 (0.50) CYP1A2ALDH1A1ADRA2A
SCHEMBL1143606 0.94 CYP1A2 (0.58) CYP1A2ALDH1A1ADRA2A
SCHEMBL445540 0.87
SCHEMBL3180256 0.87
SCHEMBL2829694 0.87
SCHEMBL19376421 0.87 CYP1A2 (0.57) CYP1A2ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL29056655 0.85 CYP1A2 (0.52) CYP1A2ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL2673742 0.85 CYP1A2 (0.52) CYP1A2ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL29056653 0.85 CYP1A2 (0.52) CYP1A2ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL6778419 0.85 CYP1A2 (0.52) CYP1A2ALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763938-B2 Substituted quinoxalines as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-09-19 US claimed
US-20160317533-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2016-11-03 US claimed
US-20150374687-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2015-12-31 US claimed
EP-2953939-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Merck Patent GmbH (DE) 2015-12-16 EP claimed
WO-2014121885-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2014-08-14 WO claimed
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 US claimed
EP-2342173-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS Novartis AG (CH) 2011-07-13 EP claimed
WO-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 WO claimed
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 US claimed
EP-1163212-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-31 EP claimed
US-6548514-B1 Inhibitors of p38 kinase/cytokine suppressive binding protein (CSBP)/reactivating kinase (RK); 1-((pyridyl)aminocarbonyl)-3-((hetero)arylaminocarbonyl)benzene derivatives; treating cytokine related diseases and disorders ASTRAZENECA AB (SE) 2003-04-15 US claimed
JP-2002539187-A 2002-11-19 JP claimed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US claimed
US-6432949-B1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2002-08-13 US claimed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 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 (3 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-20150374687-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 GRM4, GRIK4, GRIA4 CYP1A2 4495/4885ALDH1A1 4729/4885ADRA2A 1339/4885
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS FDPS, GGPS1, COASY CYP1A2 1609/4885ALDH1A1 643/4885ADRA2A 4657/4885
US-20160317533-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 GRM4, GRIA4, GRIK4 CYP1A2 3946/4885ALDH1A1 4335/4885ADRA2A 1105/4885

“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.