SCHEMBL20163094

SCHEMBL20163094

CC(C)(C)OC(=O)NN(C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1cccc(-c2ccco2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TGFBR1 P36897 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
WNT3A P56704 1/20 0.40
ADORA1 P30542 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL20163111 0.89 ABCB1 (0.43) ADORA2AHDAC3HDAC2GPR119ABCB1
SCHEMBL20163052 0.88 HDAC3 (0.43) ADORA2AHDAC3HDAC2GPR119MEN1
SCHEMBL20163100 0.86 ADORA2A (0.47) ADORA2AGPR119ABCB1ABCG2TGFBR1
SCHEMBL20163110 0.85 USP30 (0.46) HDAC2GPR119MEN1MAPTTSHR
SCHEMBL20163087 0.85 ABCB1 (0.44) ADORA2AGPR119ABCB1ABCG2TGFBR1
SCHEMBL20163035 0.85 HDAC3 (0.44) ADORA2AHDAC3HDAC2GPR119ABCB1
SCHEMBL20163043 0.81 GPR119 (0.43) ADORA2AHDAC3HDAC2GPR119ABCB1
SCHEMBL20163018 0.81 ABCB1 (0.45) ADORA2AHDAC2GPR119ABCB1ABCG2
SCHEMBL20163083 0.81 ABCB1 (0.44) ADORA2AHDAC3HDAC2GPR119ABCB1
SCHEMBL20163093 0.79 HDAC3 (0.60) ADORA2AHDAC3HDAC2GPR119ABCB1

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 4206/4885HDAC3 7/4885HDAC2 2/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ADORA2A 4310/4885HDAC3 8/4885HDAC2 2/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4624/4885HDAC3 6/4885HDAC2 2/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4243/4885HDAC3 7/4885HDAC2 2/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ADORA2A 4195/4885HDAC3 7/4885HDAC2 2/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4243/4885HDAC3 7/4885HDAC2 2/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ADORA2A 4624/4885HDAC3 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.