SCHEMBL12536216

SCHEMBL12536216

CC(C)(C)CCC1CCNC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 7/20 0.33
▸ MAN1B1 Q9UKM7 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ GLB1 P16278 2/20 0.31
▸ PYGL P06737 1/20 0.31
▸ GBA2 Q9HCG7 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HRH4 Q9H3N8 2/20 0.30
▸ HRH3 Q9Y5N1 2/20 0.30
▸ GLA P06280 2/20 0.30
▸ FUCA1 P04066 1/20 0.30
▸ HRH2 P25021 1/20 0.30

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
SCHEMBL12536225 1.00 GBA1 (0.33) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL12536233 0.82 GBA1 (0.34) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL28316228 0.80 CA1 (0.52) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL13906097 0.80 CA1 (0.52) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL12561505 0.80 CA1 (0.52) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL13483770 0.78 KCNH2 (0.31) KCNH2HRH4HRH3HRH2
SCHEMBL2897071 0.78 GBA1 (0.43) GBA1MAN1B1GAAGLB1PYGL
SCHEMBL12561507 0.77 GLB1 (0.40) GBA1GLB1GBA2CA1CA2
SCHEMBL12561509 0.77 GLB1 (0.40) GBA1GLB1GBA2CA1CA2
SCHEMBL12536215 0.77 KCNH2 (0.31) KCNH2HRH4HRH3HRH2

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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 — — 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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK GBA1 3186/4885MAN1B1 3323/4885GAA 2143/4885

“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.

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