SCHEMBL20163100

SCHEMBL20163100

CC(C)(C)OC(=O)NN(C(=O)c1cnc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1)c1cccc(-c2ccco2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
GPR119 Q8TDV5 1/20 0.43
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ADORA1 P30542 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
TGFBR1 P36897 1/20 0.38
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR2 Q92731 1/20 0.37
KCNH2 Q12809 1/20 0.36
KIT P10721 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 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
SCHEMBL20163094 0.86 ADORA2A (0.45) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL15925000 0.86 ALK (0.40) GPR119CKS1BSKP1SKP2JAK2
SCHEMBL20163087 0.82 ABCB1 (0.44) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL20163035 0.82 HDAC3 (0.44) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL20163111 0.82 ABCB1 (0.43) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL20163096 0.81 KCNH2 (0.46) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL20163018 0.80 ABCB1 (0.45) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL20163083 0.79 ABCB1 (0.44) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL20163043 0.79 GPR119 (0.43) ADORA2AGPR119ABCB1ABCG2ADORA1
SCHEMBL20163029 0.74 GPR119 (0.44) GPR119CKS1BSKP1SKP2KIT

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 7 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
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 (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 ADORA2A 4206/4885GPR119 1458/4885ABCB1 1564/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ADORA2A 4310/4885GPR119 1354/4885ABCB1 1376/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4624/4885GPR119 1560/4885ABCB1 3175/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4243/4885GPR119 1880/4885ABCB1 2283/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ADORA2A 4195/4885GPR119 2449/4885ABCB1 2167/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4243/4885GPR119 1880/4885ABCB1 2283/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4624/4885GPR119 1560/4885ABCB1 3175/4885

“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.