SCHEMBL21030406

SCHEMBL21030406

COC(CN(C)C(C)C)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 9/20 0.68
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MMP1 P03956 2/20 0.36
CYP2D6 P10635 2/20 0.36
MMP9 P14780 2/20 0.36
MMP12 P39900 2/20 0.36
KCNH2 Q12809 2/20 0.36
MMP3 P08254 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL19823828 0.84 AOC3 (0.74) AOC3SLC6A2SLC6A4SLC6A3GRIN1
SCHEMBL17664808 0.76 CA1 (0.43) AOC3CYP2D6
SCHEMBL17112356 0.74 AOC3 (0.59) AOC3SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL16334290 0.72 AOC3 (0.62) AOC3SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL4199855 0.72 AOC3 (0.62) AOC3SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL12454628 0.72 AOC3 (0.62) AOC3SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL15241688 0.71 AOC3 (0.56) AOC3SLC6A2SLC6A4MMP1CYP2D6
SCHEMBL3684962 0.69 AOC3 (0.54) AOC3SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL5367825 0.69 AOC3 (0.54) AOC3SLC6A2SLC6A4MMP1CYP2D6
SCHEMBL27796486 0.69 AOC3 (0.50) AOC3SLC6A4MMP1CYP2D6MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 US disclosed
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 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 (3 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-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO AOC3 2046/4885SLC6A2 4416/4885SLC6A4 3914/4885
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO AOC3 2046/4885SLC6A2 4416/4885SLC6A4 3914/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO AOC3 2046/4885SLC6A2 4416/4885SLC6A4 3914/4885

“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.