SCHEMBL20163034

SCHEMBL20163034

CN1CCN(c2ccc(C(=O)NN(C(=O)OC(C)(C)C)c3ccc(-c4ccoc4)cc3)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.58
HDAC2 Q92769 4/20 0.58
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2C18 P33260 1/20 0.45
SLC2A1 P11166 1/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
BMPR1B O00238 1/20 0.39
ACVR1 Q04771 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
WNT3A P56704 1/20 0.37
CYP2D6 P10635 2/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL20163164 0.86 HDAC3 (0.58) HDAC3HDAC2CYP1A2CYP2C19KCNH2
SCHEMBL20181728 0.79 HDAC3 (0.71) HDAC3HDAC2CYP1A2CYP2C19KCNH2
SCHEMBL20181533 0.73 HDAC2 (1.00) HDAC3HDAC2CYP1A2CYP2C19KCNH2
SCHEMBL20163063 0.72 HDAC3 (0.59) HDAC3HDAC2KCNH2GPR119
SCHEMBL20163145 0.72 HDAC2 (0.51) HDAC3HDAC2SMN1; SMN2
SCHEMBL20163050 0.71 HDAC3 (0.60) HDAC3HDAC2CYP1A2CYP2C19KCNH2
SCHEMBL20163052 0.70 HDAC3 (0.43) HDAC3HDAC2GPR119KMT2AMEN1
SCHEMBL20181681 0.69 KCNH2 (0.70) HDAC3HDAC2CYP1A2CYP2C19KCNH2
SCHEMBL23960951 0.68 HDAC3 (0.59) HDAC3HDAC2CYP1A2CYP2C19KCNH2
SCHEMBL20163045 0.68 HDAC3 (0.69) HDAC3HDAC2CYP1A2CYP2C19KCNH2

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 8 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
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
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

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 HDAC3 7/4885HDAC2 2/4885CYP1A2 1862/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885CYP1A2 1585/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885CYP1A2 3062/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885CYP1A2 2182/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885CYP1A2 2376/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885CYP1A2 3062/4885

“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.