SCHEMBL20163133

SCHEMBL20163133

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC1 Q13547 3/20 0.47
MAPK8 P45983 1/20 0.45
WNT3A P56704 2/20 0.43
GPR119 Q8TDV5 2/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
GRIA1 P42261 1/20 0.39
PTPN11 Q06124 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR2 O95136 1/20 0.39

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 0.92 BACE1 (0.55) BACE1HDAC1MAPK8WNT3AGPR119
SCHEMBL20163082 0.86 MAPK8 (0.45) BACE1HDAC2MAPK8GPR119PTPN11
SCHEMBL20163102 0.86 MAPK8 (0.45) BACE1HDAC2HDAC1MAPK8GPR119
SCHEMBL20163065 0.84 HDAC2 (0.54) BACE1HDAC2HDAC1WNT3AMEN1
SCHEMBL20163071 0.83 HDAC3 (0.54) BACE1HDAC2HDAC1WNT3AGPR119
SCHEMBL20163161 0.83 HDAC2 (0.55) BACE1HDAC2HDAC1WNT3AMEN1
SCHEMBL20163160 0.83 HDAC2 (0.54) HDAC2HDAC1WNT3A
SCHEMBL21275920 0.83 HDAC2 (0.55) BACE1HDAC2HDAC1WNT3AGRIA1
SCHEMBL20163090 0.80 HDAC2 (0.53) BACE1HDAC2HDAC1MAPK8WNT3A
SCHEMBL20163112 0.79 HDAC2 (0.55) BACE1HDAC2HDAC1WNT3APTPN2

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 BACE1 1411/4885HDAC2 2/4885HDAC1 1/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 BACE1 1626/4885HDAC2 2/4885HDAC1 1/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 BACE1 740/4885HDAC2 2/4885HDAC1 1/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 BACE1 1469/4885HDAC2 2/4885HDAC1 1/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 BACE1 1662/4885HDAC2 2/4885HDAC1 1/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 BACE1 1469/4885HDAC2 2/4885HDAC1 1/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 BACE1 740/4885HDAC2 2/4885HDAC1 1/4885

“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.