SCHEMBL21026237

SCHEMBL21026237

CCc1ccc2ncn(CC3CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 16/20 0.48
GABRB3 P28472 16/20 0.48
GABRA5 P31644 16/20 0.48
MAP3K14 Q99558 1/20 0.44
GRIN2B Q13224 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL17678028 0.82 GABRG2 (0.50) GABRG2GABRB3GABRA5GRIN2BMEN1
SCHEMBL23507976 0.81 NPC1 (0.55) MAP3K14MEN1KMT2ANPC1GAA
SCHEMBL17678092 0.79 GABRG2 (0.50) GABRG2GABRB3GABRA5GRIN2B
SCHEMBL19697969 0.78 GABRG2 (0.47) GABRG2GABRB3GABRA5GRIN2BMEN1
SCHEMBL12938768 0.78 GABRG2 (0.47) GABRG2GABRB3GABRA5GRIN2BMEN1
SCHEMBL19703607 0.78 GABRG2 (0.44) GABRG2GABRB3GABRA5GRIN2BMEN1
SCHEMBL4249780 0.75 GABRG2 (0.47) GABRG2GABRB3GABRA5
SCHEMBL12767960 0.75 NPSR1 (0.49) GABRG2GABRB3GABRA5GRIN2BMEN1
SCHEMBL16404602 0.74 HTT (0.62) GABRG2GABRB3GABRA5
SCHEMBL13596772 0.73 POLB (0.44) MAP3K14GRIN2BMEN1KMT2ANPC1

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 GABRG2 2674/4885GABRB3 2989/4885GABRA5 3578/4885

“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.