SCHEMBL20181720

SCHEMBL20181720

CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccco4)ccc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.72
HDAC2 Q92769 10/20 0.72
KCNH2 Q12809 3/20 0.59
WDR5 P61964 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA6 Q16445 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.39
MET P08581 1/20 0.39
HDAC1 Q13547 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL20163093 0.92 HDAC3 (0.60) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL20181488 0.91 KCNH2 (0.74) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL20163045 0.87 HDAC3 (0.69) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL20181728 0.86 HDAC3 (0.71) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL23960951 0.85 HDAC3 (0.59) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL20181696 0.85 HDAC3 (0.72) HDAC3HDAC2KCNH2CYP1A2CYP2C18
SCHEMBL20181681 0.85 KCNH2 (0.70) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL20163025 0.85 HDAC2 (0.72) HDAC3HDAC2KCNH2WDR5HDAC1
SCHEMBL20181522 0.84 HDAC2 (1.00) HDAC3HDAC2KCNH2WDR5CYP1A2
SCHEMBL20163107 0.82 HDAC3 (0.57) HDAC3HDAC2KCNH2WDR5GABRA1

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 6 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
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 (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 HDAC3 7/4885HDAC2 2/4885KCNH2 3509/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 8/4885HDAC2 2/4885KCNH2 3232/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885KCNH2 4371/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885KCNH2 3225/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 7/4885HDAC2 2/4885KCNH2 3551/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC2 2/4885KCNH2 4371/4885

“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.