SCHEMBL7032018

SCHEMBL7032018

FC(F)(F)c1c(CN2CCOC(c3ccccc3)C2)ccn2c(CC3CC3)nnc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.74
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL4562137 1.00 GRM2 (0.74) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL4559074 1.00 GRM2 (0.74) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL750114 0.85 GRM2 (1.00) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL15754732 0.85 GRM2 (0.58) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL4561328 0.84 GRM2 (1.00) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
Hydrochloric Acid SCHEMBL748588 0.84 GRM2 (0.98) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL7032057 0.84 GRM2 (0.76) GRM2
SCHEMBL4559281 0.84 GRM2 (0.76) GRM2
SCHEMBL15754382 0.84 GRM2 (0.76) GRM2
SCHEMBL749295 0.83 GRM2 (0.75) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661435-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-19 EP disclosed
US-8993591-B2 1,2,4-triazolo[4,3-a] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-03-31 US disclosed
US-8993591-B2 1,2,4-triazolo[4,3-a] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-03-31 US disclosed
US-20140155393-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2014-06-05 US disclosed
US-20140155393-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2014-06-05 US disclosed
WO-2012062759-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

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

For each of this compound's patents that has machine-readable text (1 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-20140155393-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 GRM2 1/4885CYP2C9 2477/4885CYP2C19 1932/4885

“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.