SCHEMBL20163043

SCHEMBL20163043

CC(C)(C)OC(=O)NN(C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1)c1cccc(-c2ccco2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ADORA2A P29274 4/20 0.41
TGFBR1 P36897 3/20 0.41
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
ADORA1 P30542 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
SCD5 Q86SK9 1/20 0.35
KIT P10721 2/20 0.34
ACKR3 P25106 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20163035 0.88 HDAC3 (0.44) GPR119ABCB1ABCG2ADORA2ATGFBR1
SCHEMBL20163147 0.88 GPR119 (0.42) GPR119ABCB1ABCG2ADORA2AHDAC3
SCHEMBL20163129 0.86 GPR119 (0.41) GPR119HDAC3HDAC2KITCKS1B
SCHEMBL20163038 0.86 GPR119 (0.46) GPR119TGFBR1HDAC3HDAC2KIT
SCHEMBL20163083 0.83 ABCB1 (0.44) GPR119ABCB1ABCG2ADORA2ATGFBR1
SCHEMBL20163018 0.82 ABCB1 (0.45) GPR119ABCB1ABCG2ADORA2ATGFBR1
SCHEMBL20163087 0.82 ABCB1 (0.44) GPR119ABCB1ABCG2ADORA2ATGFBR1
SCHEMBL20163111 0.81 ABCB1 (0.43) GPR119ABCB1ABCG2ADORA2ATGFBR1
SCHEMBL20163094 0.81 ADORA2A (0.45) GPR119ABCB1ABCG2ADORA2ATGFBR1
SCHEMBL20163100 0.79 ADORA2A (0.47) GPR119ABCB1ABCG2ADORA2ATGFBR1

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 1458/4885ABCB1 1564/4885ABCG2 2230/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 1354/4885ABCB1 1376/4885ABCG2 2489/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885ABCB1 3175/4885ABCG2 2968/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 2449/4885ABCB1 2167/4885ABCG2 2524/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885ABCB1 2283/4885ABCG2 2470/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885ABCB1 3175/4885ABCG2 2968/4885

“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.