SCHEMBL20205885

SCHEMBL20205885

CC(S)N1CC(Oc2ccc(F)cc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
GPR6 P46095 10/20 0.39
CYP2D6 P10635 3/20 0.39
PDE9A O76083 1/20 0.38

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
SCHEMBL20147415 0.88 SLC6A4 (0.53) SLC6A4GRIN1GRIN2BGPR6CYP2D6
SCHEMBL20158435 0.85 HSD11B1 (0.47) SLC6A4GRIN1GRIN2BPDE9A
SCHEMBL20068828 0.80 SLC6A4 (0.52) SLC6A4GRIN1GRIN2BGPR6CYP2D6
SCHEMBL20205883 0.78 PDE9A (0.41) GRIN1GRIN2BPDE9A
SCHEMBL20158870 0.74 SLC6A2 (0.40) SLC6A4PDE9A
SCHEMBL24188508 0.73 SLC6A4 (0.51) SLC6A4PDE9A
SCHEMBL29555 0.73 GRIN1 (0.43) SLC6A4GRIN1GRIN2BGPR6CYP2D6
SCHEMBL20070185 0.72 HSD11B1 (0.48) SLC6A4GRIN1GRIN2B
SCHEMBL19262515 0.71 GPR6 (0.51) GPR6CYP2D6
SCHEMBL2299176 0.69 GRIN1 (0.40) GRIN1GRIN2BGPR6CYP2D6

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 SLC6A4 3586/4885GRIN1 773/4885GRIN2B 1206/4885

“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.