SCHEMBL20163048

SCHEMBL20163048

CC(C)(C)OC(=O)N(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.42
AAK1 Q2M2I8 2/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
P4HB P07237 1/20 0.38
F2 P00734 2/20 0.37
F11 P03951 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
DGAT1 O75907 1/20 0.36
LPL P06858 3/20 0.35
LIPG Q9Y5X9 3/20 0.35
CA12 O43570 1/20 0.34
CA3 P07451 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
SCHEMBL4581025 0.82 LIPG (0.44) P4HBF2F11PRSS1PRSS2
SCHEMBL12185974 0.82 BACE1 (0.49) USP30AAK1BACE1BACE2PRMT5
SCHEMBL484122 0.81 AAK1 (0.45) USP30AAK1BACE1BACE2PRMT5
SCHEMBL18204544 0.80 BACE1 (0.45) USP30AAK1BACE1BACE2PRMT5
SCHEMBL1019640 0.79 BACE1 (0.45) USP30AAK1BACE1BACE2PRMT5
SCHEMBL23753406 0.78 LIPG (0.47) USP30AAK1BACE1BACE2PRMT5
SCHEMBL2595119 0.78 AAK1 (0.45) USP30AAK1BACE1BACE2PRMT5
SCHEMBL2592445 0.78 USP30 (0.57) USP30AAK1BACE1BACE2PRMT5
SCHEMBL6880352 0.76 MT-CO2 (0.46)
SCHEMBL248463 0.76 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2022-09-08 US disclosed
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2021-10-28 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
EP-3544969-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, LLC (US) 2019-10-02 EP disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
WO-2018098296-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2018-05-31 WO disclosed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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 (8 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-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 USP30 1395/4885AAK1 2070/4885BACE1 1411/4885
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 USP30 2170/4885AAK1 1353/4885BACE1 1229/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 USP30 1831/4885AAK1 2325/4885BACE1 1626/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 USP30 1084/4885AAK1 1162/4885BACE1 740/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 USP30 1129/4885AAK1 1492/4885BACE1 1469/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 USP30 936/4885AAK1 1412/4885BACE1 1662/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 USP30 1129/4885AAK1 1492/4885BACE1 1469/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 USP30 1084/4885AAK1 1162/4885BACE1 740/4885

“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.