SCHEMBL20163083

SCHEMBL20163083

Cc1nc(C(=O)N(NC(=O)OC(C)(C)C)c2cccc(-c3ccco3)c2)sc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
ADORA2A P29274 4/20 0.42
GPR119 Q8TDV5 1/20 0.41
ADORA1 P30542 1/20 0.41
TGFBR1 P36897 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CKS1B P61024 2/20 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
SCHEMBL20163121 0.88 HDAC2 (0.42) ABCB1ABCG2HDAC2ADORA2AGPR119
SCHEMBL20163035 0.87 HDAC3 (0.44) ABCB1ABCG2HDAC3HDAC2ADORA2A
SCHEMBL20163026 0.87 GBA1 (0.45) HDAC3HDAC2GPR119TGFBR1CYP1A2
SCHEMBL20163018 0.86 ABCB1 (0.45) ABCB1ABCG2HDAC2ADORA2AGPR119
SCHEMBL20163043 0.83 GPR119 (0.43) ABCB1ABCG2HDAC3HDAC2ADORA2A
SCHEMBL20163087 0.81 ABCB1 (0.44) ABCB1ABCG2ADORA2AGPR119ADORA1
SCHEMBL20163094 0.81 ADORA2A (0.45) ABCB1ABCG2HDAC3HDAC2ADORA2A
SCHEMBL20163111 0.81 ABCB1 (0.43) ABCB1ABCG2HDAC3HDAC2ADORA2A
SCHEMBL20163081 0.80 HDAC2 (0.58) ABCB1ABCG2HDAC3HDAC2ADORA2A
SCHEMBL20163100 0.79 ADORA2A (0.47) ABCB1ABCG2ADORA2AGPR119ADORA1

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 ABCB1 1564/4885ABCG2 2230/4885HDAC3 7/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ABCB1 1376/4885ABCG2 2489/4885HDAC3 8/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ABCB1 3175/4885ABCG2 2968/4885HDAC3 6/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ABCB1 2283/4885ABCG2 2470/4885HDAC3 7/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ABCB1 2167/4885ABCG2 2524/4885HDAC3 7/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ABCB1 2283/4885ABCG2 2470/4885HDAC3 7/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ABCB1 3175/4885ABCG2 2968/4885HDAC3 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.