SCHEMBL20163149

SCHEMBL20163149

CC(C)(C)OC(=O)NN(C(=O)c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1)c1cccc(-c2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
TGFBR1 P36897 1/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
ACKR3 P25106 2/20 0.38
TACR3 P29371 2/20 0.37
KIT P10721 1/20 0.36
HDAC1 Q13547 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL20163084 0.85 HDAC3 (0.46) GBA1GPR119HDAC3HDAC2TGFBR1
SCHEMBL20163026 0.83 GBA1 (0.45) GBA1GPR119HDAC3HDAC2TGFBR1
SCHEMBL20163136 0.83 GPR119 (0.45) GBA1GPR119HDAC3HDAC2TGFBR1
SCHEMBL20163038 0.83 GPR119 (0.46) GBA1GPR119HDAC3HDAC2TGFBR1
SCHEMBL20163104 0.82 GPR119 (0.44) GBA1GPR119HDAC3HDAC2TGFBR1
SCHEMBL23928827 0.79 HDAC3 (0.46) GBA1GPR119HDAC3HDAC2TGFBR1
SCHEMBL20163148 0.78 HDAC3 (0.57) GBA1GPR119HDAC3HDAC2ACKR3
SCHEMBL20163127 0.77 CKS1B (0.41) GBA1GPR119HDAC2CKS1BSKP1
SCHEMBL20163021 0.76 CKS1B (0.45) GBA1GPR119HDAC3HDAC2CKS1B
SCHEMBL20163040 0.75 CTSS (0.42) GBA1GPR119CKS1BSKP1SKP2

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 GBA1 1193/4885GPR119 1458/4885HDAC3 7/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GBA1 1246/4885GPR119 1354/4885HDAC3 8/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GBA1 1311/4885GPR119 1560/4885HDAC3 6/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GBA1 1072/4885GPR119 1880/4885HDAC3 7/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GBA1 1176/4885GPR119 2449/4885HDAC3 7/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GBA1 1072/4885GPR119 1880/4885HDAC3 7/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GBA1 1311/4885GPR119 1560/4885HDAC3 6/4885

“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.