SCHEMBL742002

SCHEMBL742002

CC1(C)OB(c2ccc(NC3CCOCC3)c(Cl)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GRM2 Q14416 4/20 0.37
EGFR P00533 2/20 0.36
MAPK1 P28482 2/20 0.35
MAPK3 P27361 1/20 0.35
SCN5A Q14524 1/20 0.35
BCL6 P41182 1/20 0.34
BCOR Q6W2J9 1/20 0.34
LPL P06858 6/20 0.34
LIPG Q9Y5X9 6/20 0.34
AAK1 Q2M2I8 1/20 0.33
HIF1A Q16665 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL2788224 0.92 CA1 (0.41) CA1CA2CA9EGFRLPL
SCHEMBL10345253 0.86 CA1 (0.40) CA1CA2CA9GRM2EGFR
SCHEMBL10324272 0.86 CA1 (0.40) CA1CA2CA9GRM2EGFR
SCHEMBL10324273 0.86 CA1 (0.40) CA1CA2CA9GRM2EGFR
SCHEMBL741453 0.85 CA1 (0.36) CA1CA2CA9EGFRLPL
SCHEMBL3708691 0.85 CA1 (0.39) CA1CA2CA9EGFRLPL
SCHEMBL171262 0.85 LPL (0.39) CA1CA2CA9EGFRMAPK1
SCHEMBL1826305 0.81 PDE3B (0.45) GRM2MAPK1MAPK3LPLLIPG
SCHEMBL18339584 0.81 PRKCQ (0.37) GRM2LPLLIPGHIF1AOPRL1
SCHEMBL2816021 0.78 CA1 (0.47) CA1CA2CA9MAPK1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
US-8796311-B2 2014-08-05 US disclosed
US-8796311-B2 2014-08-05 US disclosed
US-8796311-B2 2014-08-05 US disclosed
US-20140200208-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA, S.A. (CH) 2014-07-17 US disclosed
EP-2134708-B1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO MCNEIL JANSSEN PHARM (US) 2011-05-11 EP disclosed
EP-2134708-B1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO MCNEIL JANSSEN PHARM (US) 2011-05-11 EP disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
EP-2134708-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008107481-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107481-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 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 (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-20140200208-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRIA2 CA1 3955/4885CA2 1366/4885CA9 4837/4885
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES GRM2, GRM3, GRIK2 CA1 2828/4885CA2 522/4885CA9 4610/4885

“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.