SCHEMBL20163029

SCHEMBL20163029

CC(C)(C)OC(=O)NN(C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1)c1cccc(-c2ccoc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
WNT3A P56704 1/20 0.42
RET P07949 7/20 0.41
TBK1 Q9UHD2 1/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KIT P10721 2/20 0.37
PGK1 P00558 1/20 0.37
MGLL Q99685 1/20 0.37
HRH3 Q9Y5N1 1/20 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
SCHEMBL20163099 0.89 CKS1B (0.43) GPR119HDAC3HDAC2CKS1BSKP1
SCHEMBL20163014 0.88 TBK1 (0.50) GPR119CKS1BSKP1SKP2WNT3A
SCHEMBL20163092 0.88 GPR119 (0.48) GPR119HDAC3HDAC2CKS1BSKP1
SCHEMBL20163059 0.85 CKS1B (0.44) GPR119HDAC2CKS1BSKP1SKP2
SCHEMBL20163052 0.85 HDAC3 (0.43) GPR119HDAC3HDAC2CKS1BSKP1
SCHEMBL20163033 0.85 GPR119 (0.41) GPR119HDAC2CKS1BSKP1SKP2
SCHEMBL20163076 0.85 GPR119 (0.41) GPR119HDAC3CKS1BSKP1SKP2
SCHEMBL20163023 0.84 HDAC2 (0.40) GPR119HDAC3HDAC2CKS1BSKP1
SCHEMBL20163147 0.81 GPR119 (0.42) GPR119HDAC3HDAC2CKS1BSKP1
SCHEMBL20163121 0.81 HDAC2 (0.42) GPR119HDAC2CKS1BSKP1SKP2

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 6 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
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 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 (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 1458/4885HDAC3 7/4885HDAC2 2/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 1354/4885HDAC3 8/4885HDAC2 2/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885HDAC3 6/4885HDAC2 2/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 2449/4885HDAC3 7/4885HDAC2 2/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885HDAC3 7/4885HDAC2 2/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885HDAC3 6/4885HDAC2 2/4885

“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.