SCHEMBL20163082

SCHEMBL20163082

CC(C)(C)OC(=O)Nc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.45
BACE1 P56817 3/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
HDAC3 O15379 6/20 0.43
HDAC2 Q92769 6/20 0.43
WDR5 P61964 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
ADORA2A P29274 3/20 0.41
ADORA1 P30542 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TGFBR1 P36897 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL20163142 0.89 BACE1 (0.55) MAPK8BACE1GPR119PTPN11
SCHEMBL20163133 0.86 BACE1 (0.47) MAPK8BACE1HDAC2GPR119PTPN11
SCHEMBL20163093 0.86 HDAC3 (0.60) BACE1ABCB1ABCG2HDAC3HDAC2
SCHEMBL20163102 0.86 MAPK8 (0.45) MAPK8BACE1HDAC3HDAC2GPR119
SCHEMBL20163107 0.85 HDAC3 (0.57) ABCB1ABCG2HDAC3HDAC2WDR5
SCHEMBL20163030 0.85 HDAC3 (0.61) BACE1ABCB1ABCG2HDAC3HDAC2
SCHEMBL20181716 0.85 HDAC3 (0.61) ABCB1ABCG2HDAC3HDAC2GPR119
SCHEMBL20181722 0.84 HDAC2 (0.57) BACE1ABCB1ABCG2HDAC3HDAC2
SCHEMBL20176424 0.82 HDAC3 (0.55) MAPK8BACE1ABCB1ABCG2HDAC3
SCHEMBL20163096 0.81 KCNH2 (0.46) BACE1ABCB1ABCG2HDAC3HDAC2

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 15 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-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-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 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-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
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
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
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 (7 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 MAPK8 2807/4885BACE1 1411/4885ABCB1 1564/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 MAPK8 2810/4885BACE1 1626/4885ABCB1 1376/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 MAPK8 2454/4885BACE1 740/4885ABCB1 3175/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 MAPK8 2693/4885BACE1 1469/4885ABCB1 2283/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 MAPK8 3036/4885BACE1 1662/4885ABCB1 2167/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 MAPK8 2693/4885BACE1 1469/4885ABCB1 2283/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 MAPK8 2454/4885BACE1 740/4885ABCB1 3175/4885

“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.