SCHEMBL17985192

SCHEMBL17985192

FC(F)(F)c1c(O[C@H]2C[C@H](c3ccccc3)C2)ccnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.51
SLC6A4 P31645 6/20 0.43
ELOVL1 Q9BW60 1/20 0.32
GRIN2B Q13224 1/20 0.32
SLC6A2 P23975 2/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
SLC6A3 Q01959 1/20 0.31
SCD O00767 1/20 0.31
HTR2A P28223 1/20 0.31
IDO1 P14902 1/20 0.30
SYK P43405 2/20 0.30
HDAC4 P56524 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
SCHEMBL17985193 1.00 GRM2 (0.51) GRM2SLC6A4ELOVL1GRIN2BSLC6A2
SCHEMBL16585444 0.89 GRM2 (0.52) GRM2SLC6A4IDO1
SCHEMBL17985220 0.89 GRM2 (0.52) GRM2SLC6A4IDO1
SCHEMBL17985228 0.89 GRM2 (0.53) GRM2SLC6A4SLC6A3SCDIDO1
SCHEMBL17985229 0.89 GRM2 (0.53) GRM2SLC6A4SLC6A3SCDIDO1
SCHEMBL17985266 0.81 GRM2 (0.48) GRM2SLC6A4ELOVL1GRIN2BSLC6A2
SCHEMBL16591170 0.81 GRM2 (0.48) GRM2SLC6A4ELOVL1GRIN2BSLC6A2
SCHEMBL17985198 0.71 GRM2 (0.50) GRM2SLC6A3SCDIDO1SYK
SCHEMBL16591225 0.71 GRM2 (0.50) GRM2SLC6A3SCDIDO1SYK
SCHEMBL16590813 0.71 GRM2 (0.49) 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 1/4885SLC6A4 906/4885ELOVL1 2852/4885

“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.