SCHEMBL15001206

SCHEMBL15001206

[2H]C([2H])([2H])C(C)(O[Si](C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.43
▸ USP30 Q70CQ3 1/20 0.37
▸ LPL P06858 11/20 0.35
▸ LIPG Q9Y5X9 11/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL30227360 0.93 DGAT1 (0.47) DGAT1USP30LPLLIPGFFAR1
SCHEMBL15001246 0.93 DGAT1 (0.47) DGAT1USP30LPLLIPGFFAR1
SCHEMBL155003 0.93 DGAT1 (0.47) DGAT1USP30LPLLIPGFFAR1
SCHEMBL3508922 0.84 DGAT1 (0.44) DGAT1USP30LPLLIPGFFAR1
SCHEMBL15001186 0.78 DGAT1 (0.48) DGAT1USP30LPLLIPGFFAR1
SCHEMBL16272832 0.78 DGAT1 (0.48) DGAT1USP30LPLLIPGFFAR1
SCHEMBL18674117 0.77 DGAT1 (0.44) DGAT1USP30LPLLIPGFFAR1
SCHEMBL15001205 0.77 DGAT1 (0.44) DGAT1USP30LPLLIPGFFAR1
SCHEMBL29744208 0.76 DGAT1 (0.46) DGAT1USP30LPLLIPGFFAR1
SCHEMBL1059779 0.76 DGAT1 (0.49) DGAT1USP30LPLLIPGFFAR1

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-20130142873-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE SIGNAL PHARMACEUTICALS, LLC (US) 2013-06-06 — — 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-20130142873-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE CYP11B2, CYP27A1, CYP11B1 DGAT1 3081/4885USP30 4398/4885LPL 1927/4885

“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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