SCHEMBL20163145

SCHEMBL20163145

CN1CCN(c2ccc(C(=O)NN(C(=O)OC(C)(C)C)c3ccc(-c4ccncc4)cc3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.51
TBK1 Q9UHD2 1/20 0.47
HDAC3 O15379 4/20 0.46
DYRK1A Q13627 6/20 0.44
WNT1 P04628 2/20 0.44
GSK3B P49841 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC10 Q969S8 1/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42

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
SCHEMBL20181499 0.78 HDAC2 (0.59) HDAC2TBK1HDAC3DYRK1AWNT1
SCHEMBL20163063 0.77 HDAC3 (0.59) HDAC2HDAC3HDAC10
SCHEMBL4579839 0.75 HDAC3 (0.61) HDAC2HDAC3DYRK1AWNT1GSK3B
SCHEMBL2132124 0.73 DRD2 (0.49) HDAC2DYRK1AWNT1
SCHEMBL20163034 0.72 HDAC3 (0.58) HDAC2HDAC3SMN1; SMN2
SCHEMBL20181500 0.72 HDAC2 (0.84) HDAC2HDAC3HDAC10
SCHEMBL28315510 0.71 HDAC2 (0.67) HDAC2HDAC3DYRK1AWNT1GSK3B
SCHEMBL20163097 0.70 HDAC2 (0.70) HDAC2HDAC3DYRK1AWNT1GSK3B
SCHEMBL20163014 0.70 TBK1 (0.50) TBK1
SCHEMBL20163164 0.70 HDAC3 (0.58) HDAC2HDAC3SMN1; SMN2

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 6 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-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
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 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 HDAC2 2/4885TBK1 2876/4885HDAC3 7/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885TBK1 3275/4885HDAC3 8/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885TBK1 2693/4885HDAC3 6/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC2 2/4885TBK1 2844/4885HDAC3 7/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885TBK1 2948/4885HDAC3 7/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885TBK1 2693/4885HDAC3 6/4885

“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.