SCHEMBL20205884

SCHEMBL20205884

CN1CC(Oc2ccc(F)c(F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
ACACB O00763 2/20 0.38
SCN9A Q15858 1/20 0.38
PDE9A O76083 1/20 0.38
PLA2G7 Q13093 1/20 0.37

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
SCHEMBL10077964 0.83 HRH3 (0.54) PTGS1PTGS2HTR2CHTR2BACACB
SCHEMBL13940565 0.81 GRIN1 (0.46) GRIN1GRIN2BSLC6A4PTGS1PTGS2
SCHEMBL20068831 0.81 HRH3 (0.46) GRIN1GRIN2BSLC6A4PTGS1PTGS2
SCHEMBL13923530 0.81 GRIN1 (0.41) GRIN1GRIN2BSLC6A4PTGS1PTGS2
SCHEMBL10078847 0.79 HTR2C (0.47) GRIN1GRIN2BSLC6A4HTR2CHTR2B
SCHEMBL16650032 0.79 PLA2G7 (0.38) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL24716435 0.79 PTGS1 (0.46) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL17123796 0.77 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23365192 0.77 GRIN1 (0.48) GRIN1GRIN2BPTGS1PTGS2ACACB
SCHEMBL24974304 0.76 GRIN1 (0.47) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 GRIN1 773/4885GRIN2B 1206/4885SLC6A4 3586/4885

“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.