SCHEMBL17985198

SCHEMBL17985198

NNc1nccc(OC2CCC(c3ccccc3)CC2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.50
IDO1 P14902 1/20 0.34
SYK P43405 2/20 0.34
SCD O00767 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
EPHX2 P34913 1/20 0.32
DHODH Q02127 1/20 0.32
TIPARP Q7Z3E1 1/20 0.31
AR P10275 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL16591225 1.00 GRM2 (0.50) GRM2IDO1SYKSCDCYP2C9
SCHEMBL16591170 0.89 GRM2 (0.48) GRM2SYKEPHX2ALDH1A1GAA
SCHEMBL17985266 0.89 GRM2 (0.48) GRM2SYKEPHX2ALDH1A1GAA
SCHEMBL17985229 0.82 GRM2 (0.53) GRM2IDO1SYKSCDCYP2C9
SCHEMBL17985228 0.82 GRM2 (0.53) GRM2IDO1SYKSCDCYP2C9
SCHEMBL18016750 0.82 GRM2 (0.36) GRM2IDO1EPHX2AR
SCHEMBL17985290 0.79 GRM2 (0.49) GRM2IDO1
SCHEMBL16590813 0.79 GRM2 (0.49) GRM2IDO1
SCHEMBL17985224 0.78 GRM2 (0.44) GRM2IDO1TIPARPAR
SCHEMBL17985227 0.78 GRM2 (0.44) GRM2IDO1TIPARPAR

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 3195/4885SYK 1352/4885

“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.