SCHEMBL3159765

SCHEMBL3159765

COC(=O)c1cnc(N2CCN(C)CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC2 Q92769 6/20 0.53
HDAC3 O15379 5/20 0.53
HDAC4 P56524 5/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
CRBN Q96SW2 1/20 0.53
SNCA P37840 5/20 0.47
KCNH2 Q12809 1/20 0.47
TMPRSS15 P98073 2/20 0.46
OGA O60502 2/20 0.43

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
SCHEMBL20176409 0.87 HRH3 (0.57) HRH3HDAC2HDAC3HDAC4HDAC1
SCHEMBL3168739 0.86 TDP1 (0.58) TDP1HDAC2HDAC3HDAC4HDAC1
SCHEMBL4818519 0.86 HRH3 (0.50) HRH3HDAC2HDAC3HDAC4HDAC1
SCHEMBL4814736 0.86 HDAC3 (0.73) HRH3HDAC2HDAC3HDAC4HDAC1
SCHEMBL16048417 0.86 HDAC3 (0.58) HRH3HDAC2HDAC3HDAC4HDAC1
SCHEMBL4813646 0.85 HRH3 (0.49) HRH3HDAC2HDAC3HDAC4HDAC1
SCHEMBL16982078 0.85 OGA (0.59) TDP1HDAC2HDAC3HDAC4HDAC1
SCHEMBL4092990 0.84 CRBN (0.55) HRH3HDAC2HDAC3HDAC4HDAC1
SCHEMBL4161740 0.84 HDAC2 (0.74) TDP1HDAC2HDAC3HDAC4HDAC1
SCHEMBL8197112 0.83 TDP1 (0.58) TDP1HDAC2HDAC3HDAC4HDAC1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
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-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
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP disclosed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 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 (9 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-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HRH3 1540/4885TDP1 2610/4885HDAC2 2/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HRH3 1232/4885TDP1 1666/4885HDAC2 2/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HRH3 1252/4885TDP1 2059/4885HDAC2 2/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HRH3 1232/4885TDP1 1666/4885HDAC2 2/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HRH3 1792/4885TDP1 1226/4885HDAC2 2/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 HRH3 211/4885TDP1 1413/4885HDAC2 2656/4885
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC10 HRH3 313/4885TDP1 777/4885HDAC2 5/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HRH3 313/4885TDP1 777/4885HDAC2 5/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HRH3 313/4885TDP1 777/4885HDAC2 5/4885

“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.