SCHEMBL17985266

SCHEMBL17985266

NNc1nccc(OC2CC(c3ccccc3)C2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.48
SLC6A4 P31645 2/20 0.36
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ELOVL1 Q9BW60 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SYK P43405 2/20 0.31
SLC6A2 P23975 1/20 0.31
HDAC4 P56524 1/20 0.31
EPHX2 P34913 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL16591170 1.00 GRM2 (0.48) GRM2SLC6A4MAPTALDH1A1GAA
SCHEMBL16591225 0.89 GRM2 (0.50) GRM2MAPTALDH1A1GAASYK
SCHEMBL17985198 0.89 GRM2 (0.50) GRM2MAPTALDH1A1GAASYK
SCHEMBL16590813 0.89 GRM2 (0.49) GRM2
SCHEMBL17985290 0.89 GRM2 (0.49) GRM2
SCHEMBL18016779 0.81 SLC6A4 (0.38) GRM2SLC6A4ELOVL1GRIN2B
SCHEMBL17985192 0.81 GRM2 (0.51) GRM2SLC6A4ELOVL1SYKSLC6A2
SCHEMBL17985193 0.81 GRM2 (0.51) GRM2SLC6A4ELOVL1SYKSLC6A2
SCHEMBL740326 0.72 PPIA (0.45) GRM2MAPTSYK
SCHEMBL748593 0.71 GRM2 (0.48) GRM2

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 1/4885SLC6A4 906/4885MAPT 396/4885

“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.