SCHEMBL20163129

SCHEMBL20163129

CC(C)(C)OC(=O)NN(C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1)c1cccc(-c2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
MMP13 P45452 1/20 0.38
KIT P10721 2/20 0.38
WNT3A P56704 2/20 0.38
TBK1 Q9UHD2 1/20 0.37
USP30 Q70CQ3 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
GBA1 P04062 2/20 0.36
SLC2A1 P11166 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALK Q9UM73 1/20 0.35
CYP17A1 P05093 1/20 0.35
KDM4D Q6B0I6 1/20 0.35

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
SCHEMBL20163038 0.89 GPR119 (0.46) GPR119MMP13KITHDAC3HDAC2
SCHEMBL20163158 0.88 GPR119 (0.42) GPR119MMP13KITWNT3ATBK1
SCHEMBL20163147 0.87 GPR119 (0.42) GPR119MMP13KITWNT3AHDAC3
SCHEMBL20163043 0.86 GPR119 (0.43) GPR119MMP13KITUSP30HDAC3
SCHEMBL20163127 0.83 CKS1B (0.41) GPR119KITWNT3ATBK1HDAC2
SCHEMBL20163040 0.83 CTSS (0.42) GPR119KITWNT3AUSP30CKS1B
SCHEMBL20163014 0.82 TBK1 (0.50) GPR119KITWNT3ATBK1CKS1B
SCHEMBL20163021 0.82 CKS1B (0.45) GPR119KITWNT3ATBK1USP30
SCHEMBL20163131 0.80 KIT (0.47) GPR119KITWNT3AHDAC3HDAC2
SCHEMBL20163146 0.80 GPR119 (0.42) GPR119KITWNT3ATBK1CKS1B

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 GPR119 1458/4885MMP13 1081/4885KIT 1812/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 1354/4885MMP13 860/4885KIT 1994/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885MMP13 849/4885KIT 3928/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 2449/4885MMP13 1110/4885KIT 2948/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885MMP13 1182/4885KIT 3053/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885MMP13 849/4885KIT 3928/4885

“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.