SCHEMBL17985227

SCHEMBL17985227

O=C(COCC(F)(F)F)NNc1nccc(O[C@H]2CC[C@H](c3ccccc3)CC2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.44
CCR2 P41597 4/20 0.36
KCNH2 Q12809 2/20 0.35
TIPARP Q7Z3E1 2/20 0.34
S1PR5 Q9H228 1/20 0.34
CCRL2 O00421 1/20 0.33
IDO1 P14902 1/20 0.33
FABP7 O15540 1/20 0.33
SCN9A Q15858 1/20 0.33
AR P10275 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
CCR5 P51681 1/20 0.33
HCRTR2 O43614 1/20 0.32

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
SCHEMBL17985224 1.00 GRM2 (0.44) GRM2CCR2KCNH2TIPARPS1PR5
SCHEMBL16591225 0.78 GRM2 (0.50) GRM2TIPARPIDO1AR
SCHEMBL17985198 0.78 GRM2 (0.50) GRM2TIPARPIDO1AR
SCHEMBL739584 0.73 ALDH1A1 (0.47)
SCHEMBL17985229 0.72 GRM2 (0.53) GRM2S1PR5IDO1
SCHEMBL17985228 0.72 GRM2 (0.53) GRM2S1PR5IDO1
SCHEMBL740073 0.71 PPIA (0.46) GRM2
SCHEMBL6927133 0.70 GRM2 (0.45) GRM2
SCHEMBL17985266 0.69 GRM2 (0.48) GRM2
SCHEMBL16591170 0.69 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 1/4885CCR2 1173/4885KCNH2 3436/4885

“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.