SCHEMBL17985290

SCHEMBL17985290

NNc1nccc(OC2CC(c3ccc(F)cc3)C2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.49
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
IDO1 P14902 13/20 0.32
CYP3A4 P08684 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31

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
SCHEMBL16590813 1.00 GRM2 (0.49) GRM2IDH1IDH2IDO1CYP3A4
SCHEMBL16591170 0.89 GRM2 (0.48) GRM2
SCHEMBL17985266 0.89 GRM2 (0.48) GRM2
SCHEMBL18016789 0.83 GRM2 (0.37) GRM2IDO1CYP3A4TRPC3TRPC6
SCHEMBL16585444 0.82 GRM2 (0.52) GRM2IDH1IDH2IDO1CYP3A4
SCHEMBL17985220 0.82 GRM2 (0.52) GRM2IDH1IDH2IDO1CYP3A4
SCHEMBL16591225 0.79 GRM2 (0.50) GRM2IDO1
SCHEMBL17985198 0.79 GRM2 (0.50) GRM2IDO1
SCHEMBL16591183 0.78 GRM2 (0.52) GRM2
SCHEMBL16591198 0.77 GRM2 (0.34) GRM2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US 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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 GRM2 1/4885IDH1 1891/4885IDH2 948/4885

“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.