SCHEMBL20163072

SCHEMBL20163072

CC(C)(C)OC(=O)N(N)c1ccc(-c2ccoc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
PAX8 Q06710 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NR4A2 P43354 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MT-CO2 P00403 1/20 0.33
ADORA2B P29275 2/20 0.33
P2RX3 P56373 2/20 0.33
LTA4H P09960 1/20 0.33
ERN1 O75460 2/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM1B Q8NB78 1/20 0.32

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
SCHEMBL2529611 0.82 MT-CO2 (0.42) PAX8CA12CA1CA2CA9
SCHEMBL5604575 0.81 PAX8 (0.43) PAX8GPR88CA12CA1CA2
SCHEMBL20163106 0.78 MAPT (0.43) GPR119PAX8CA12CA1CA2
SCHEMBL20163089 0.77 KDM4E (0.49) GPR119PAX8SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL21835777 0.76 KDM4E (0.48) GPR119PAX8SLC6A4SLC6A3
SCHEMBL977449 0.76 ALDH1A1 (0.42) PAX8MT-CO2
SCHEMBL3410365 0.76 MT-CO2 (0.39) GPR119PAX8MT-CO2
SCHEMBL14966400 0.75 CA12 (0.55) GPR119CA12CA1CA2CA9
SCHEMBL273986 0.74 MEN1 (0.39) PAX8MT-CO2KDM1AHDAC6
SCHEMBL14740797 0.74 RAB9A (0.41) PAX8MT-CO2

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 GPR119 1458/4885PAX8 3834/4885GPR88 2607/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 1354/4885PAX8 4025/4885GPR88 2954/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885PAX8 3688/4885GPR88 3293/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885PAX8 3639/4885GPR88 2670/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 2449/4885PAX8 3578/4885GPR88 2797/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885PAX8 3639/4885GPR88 2670/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885PAX8 3688/4885GPR88 3293/4885

“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.