SCHEMBL20205883

SCHEMBL20205883

CC(S)N1CC(Oc2ccc(F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.41
ACACB O00763 1/20 0.40
LIPG Q9Y5X9 2/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
HRH3 Q9Y5N1 3/20 0.37
EPHX2 P34913 1/20 0.36
SCN9A Q15858 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL10057698 0.86 HRH3 (0.45) PDE9AACACBLIPGGRIN1GRIN2B
SCHEMBL20147887 0.85 PDE9A (0.43) PDE9AACACBHRH3
SCHEMBL22857080 0.83 PDE9A (0.44) PDE9AACACBLIPG
SCHEMBL20205885 0.78 SLC6A4 (0.43) PDE9AGRIN1GRIN2B
SCHEMBL23993214 0.78 HRH3 (0.55) LIPGHRH3
SCHEMBL10057700 0.78 HRH3 (0.55) LIPGHRH3
SCHEMBL20158435 0.78 HSD11B1 (0.47) PDE9ASLC6A3GRIN1GRIN2B
SCHEMBL10078847 0.77 HTR2C (0.47) LIPGGRIN1GRIN2BHRH3EPHX2
SCHEMBL21004282 0.75 HRH3 (0.47) LIPGHRH3
SCHEMBL795699 0.74 ACHE (0.45) GRIN1GRIN2BSCN9A

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 PDE9A 1154/4885ACACB 4835/4885LIPG 4689/4885

“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.