SCHEMBL20163158

SCHEMBL20163158

CC(C)(C)OC(=O)NN(C(=O)c1ncc(N2CCN(C(=O)OC(C)(C)C)CC2)s1)c1cccc(-c2ccncc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.42
KIT P10721 2/20 0.41
TBK1 Q9UHD2 1/20 0.40
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
WNT3A P56704 2/20 0.39
ALK Q9UM73 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
GBA1 P04062 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL20163136 0.90 GPR119 (0.45) GPR119KITCKS1BSKP1SKP2
SCHEMBL20163076 0.88 GPR119 (0.41) GPR119KITCKS1BSKP1SKP2
SCHEMBL20163129 0.88 GPR119 (0.41) GPR119KITTBK1CKS1BSKP1
SCHEMBL20163035 0.87 HDAC3 (0.44) GPR119KITCKS1BSKP1SKP2
SCHEMBL20163127 0.86 CKS1B (0.41) GPR119KITTBK1CKS1BSKP1
SCHEMBL20163021 0.84 CKS1B (0.45) GPR119KITTBK1CKS1BSKP1
SCHEMBL20163014 0.84 TBK1 (0.50) GPR119KITTBK1CKS1BSKP1
SCHEMBL20163131 0.80 KIT (0.47) GPR119KITCKS1BSKP1SKP2
SCHEMBL20163146 0.79 GPR119 (0.42) GPR119KITTBK1CKS1BSKP1
SCHEMBL20163040 0.79 CTSS (0.42) GPR119KITCKS1BSKP1SKP2

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 GPR119 1458/4885KIT 1812/4885TBK1 2876/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 1354/4885KIT 1994/4885TBK1 3275/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885KIT 3928/4885TBK1 2693/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885KIT 3053/4885TBK1 2948/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 2449/4885KIT 2948/4885TBK1 2844/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885KIT 3053/4885TBK1 2948/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885KIT 3928/4885TBK1 2693/4885

“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.