SCHEMBL20163064

SCHEMBL20163064

CC(C)(C)OC(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
WNT3A P56704 1/20 0.47
HDAC3 O15379 5/20 0.47
HDAC2 Q92769 5/20 0.47
KCNH2 Q12809 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C18 P33260 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALK Q9UM73 6/20 0.42
BACE1 P56817 2/20 0.42
HDAC1 Q13547 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
SLC2A1 P11166 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
SCHEMBL20163065 0.94 HDAC2 (0.54) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL23960936 0.90 MEN1 (0.54) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20181718 0.90 HDAC3 (0.57) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20181660 0.89 KCNH2 (0.58) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163050 0.87 HDAC3 (0.60) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL23960906 0.87 SMN1; SMN2 (0.51) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL21275921 0.85 HDAC3 (0.62) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20181517 0.85 HDAC2 (0.55) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163093 0.85 HDAC3 (0.60) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163078 0.84 HDAC2 (0.55) WNT3AHDAC3HDAC2KCNH2HDAC1

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 13 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-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-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
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 (6 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 MEN1 4672/4885MAPT 1866/4885TSHR 3851/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 MEN1 4699/4885MAPT 2229/4885TSHR 4066/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 MEN1 4086/4885MAPT 1345/4885TSHR 4409/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 MEN1 4630/4885MAPT 1881/4885TSHR 4265/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 MEN1 4549/4885MAPT 1895/4885TSHR 4262/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 MEN1 4086/4885MAPT 1345/4885TSHR 4409/4885

“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.