SCHEMBL20163045

SCHEMBL20163045

CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.69
HDAC2 Q92769 7/20 0.69
KCNH2 Q12809 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C18 P33260 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
WDR5 P61964 3/20 0.44
F10 P00742 1/20 0.44
HDAC1 Q13547 1/20 0.43
SRPK1 Q96SB4 1/20 0.42
IRAK4 Q9NWZ3 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
SCHEMBL23960951 0.93 HDAC3 (0.59) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181681 0.92 KCNH2 (0.70) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181718 0.91 HDAC3 (0.57) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181696 0.89 HDAC3 (0.72) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181728 0.88 HDAC3 (0.71) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181720 0.87 HDAC3 (0.72) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL23960952 0.87 HDAC3 (0.53) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL23960936 0.84 MEN1 (0.54) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20163065 0.83 HDAC2 (0.54) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181660 0.83 KCNH2 (0.58) HDAC3HDAC2KCNH2CYP1A2CYP2C18

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 HDAC3 7/4885HDAC2 2/4885KCNH2 3509/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885KCNH2 3232/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885KCNH2 4371/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885KCNH2 3551/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885KCNH2 3225/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885KCNH2 3551/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885KCNH2 4371/4885

“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.