SCHEMBL17985229

SCHEMBL17985229

FC(F)(F)c1c(O[C@H]2CC[C@H](c3ccccc3)CC2)ccnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.53
IDO1 P14902 3/20 0.36
SCD O00767 2/20 0.34
S1PR5 Q9H228 1/20 0.34
SYK P43405 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC6A4 P31645 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
SCHEMBL17985228 1.00 GRM2 (0.53) GRM2IDO1SCDS1PR5SYK
SCHEMBL17985192 0.89 GRM2 (0.51) GRM2IDO1SCDSYKSLC6A3
SCHEMBL17985193 0.89 GRM2 (0.51) GRM2IDO1SCDSYKSLC6A3
SCHEMBL16591225 0.82 GRM2 (0.50) GRM2IDO1SCDSYKCYP2C9
SCHEMBL17985198 0.82 GRM2 (0.50) GRM2IDO1SCDSYKCYP2C9
SCHEMBL17985220 0.78 GRM2 (0.52) GRM2IDO1SLC6A4
SCHEMBL16585444 0.78 GRM2 (0.52) GRM2IDO1SLC6A4
SCHEMBL8705390 0.75 S1PR5 (0.40) GRM2IDO1S1PR5SLC6A4
SCHEMBL8705388 0.75 S1PR5 (0.40) GRM2IDO1S1PR5SLC6A4
SCHEMBL746825 0.73 GRM2 (0.51) 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 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 1/4885IDO1 3195/4885SCD 3794/4885

“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.