SCHEMBL1265907

SCHEMBL1265907

OC1CCOC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SLC18A3 Q16572 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 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
SCHEMBL8675407 1.00 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL8414022 1.00 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL8674396 1.00 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL1265905 1.00 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL14721383 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAOAMAOB
SCHEMBL16422529 0.81 KDM1A (0.37) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL17158493 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL14731159 0.81 ESR2 (0.32)
SCHEMBL16422528 0.81 KDM1A (0.37) SLC6A2SLC6A4SLC6A3MAOBKDM1A
SCHEMBL1195857 0.81 TSHR (0.64) TSHRSLC6A2SLC6A4SLC6A3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-20130338185-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2013-12-19 US disclosed
EP-2649069-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
CN-103194520-A Method for preparing 4-hydroxyl tetrahydropyran derivative with optical activity through enzymatic transesterification UNIV NINGXIA 2013-07-10 CN disclosed
WO-2012062750-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
WO-2012062750-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
WO-2010064705-A1 NOVEL 7-SUBSTITUTED DIHYDROPYRANOPYRIMIDINE DERIVATIVE HAVING H4 RECEPTOR ANTAGONISTIC ACTIVITY 大日本住友製薬株式会社 (JP) 2010-06-10 WO disclosed
WO-2009124882-A1 NOVEL PIPERIDINYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
WO-2009124882-A1 NOVEL PIPERIDINYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
EP-0931139-A1 IMMOBILIZED COFACTOR-DEPENDENT ENZYMES McGILL UNIVERSITY (CA) 1999-07-28 EP disclosed
US-5807926-A OXIDO-REDUCTO SYNTHESIS MCGILL UNIVERSITY (CA) 1998-09-15 US disclosed
WO-1998016631-A1 IMMOBILIZED COFACTOR-DEPENDENT ENZYMES MCGILL UNIVERSITY (CA) 1998-04-23 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 (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-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 TSHR 3899/4885SLC6A2 1792/4885SLC6A4 697/4885
US-20130338185-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 TSHR 370/4885SLC6A2 463/4885SLC6A4 354/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 TSHR 3899/4885SLC6A2 1792/4885SLC6A4 697/4885

“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.