SCHEMBL20163131

SCHEMBL20163131

CC(C)(C)OC(=O)NN(C(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.47
GPR119 Q8TDV5 5/20 0.44
GBA1 P04062 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
KDM1A O60341 1/20 0.39
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
WNT3A P56704 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
ALK Q9UM73 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL28314096 0.90 HDAC2 (0.53) KITGPR119HDAC3HDAC1HDAC2
SCHEMBL20163139 0.89 HDAC1 (0.41) KITGPR119GBA1HDAC3HDAC1
SCHEMBL20163023 0.88 HDAC2 (0.40) KITGPR119HDAC3HDAC1HDAC2
SCHEMBL20163092 0.84 GPR119 (0.48) KITGPR119GBA1HDAC3HDAC1
SCHEMBL20163129 0.80 GPR119 (0.41) KITGPR119GBA1HDAC3HDAC2
SCHEMBL20163158 0.80 GPR119 (0.42) KITGPR119GBA1HDAC3HDAC2
SCHEMBL20163130 0.79 HDAC2 (0.57) KITGPR119GBA1HDAC3HDAC1
SCHEMBL20163014 0.77 TBK1 (0.50) KITGPR119GBA1CKS1BSKP1
SCHEMBL20163021 0.77 CKS1B (0.45) KITGPR119GBA1HDAC3HDAC1
SCHEMBL20163040 0.76 CTSS (0.42) KITGPR119GBA1CKS1BSKP1

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 9 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-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-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 (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 KIT 1812/4885GPR119 1458/4885GBA1 1193/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KIT 1994/4885GPR119 1354/4885GBA1 1246/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KIT 3928/4885GPR119 1560/4885GBA1 1311/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KIT 3053/4885GPR119 1880/4885GBA1 1072/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 KIT 2948/4885GPR119 2449/4885GBA1 1176/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KIT 3053/4885GPR119 1880/4885GBA1 1072/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KIT 3928/4885GPR119 1560/4885GBA1 1311/4885

“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.