SCHEMBL64453

SCHEMBL64453

COC(=O)c1ccc(N2CCN(C)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
MAPK1 P28482 1/20 0.51
HDAC3 O15379 4/20 0.51
HDAC2 Q92769 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50
SIRT6 Q8N6T7 1/20 0.49
FGFR1 P11362 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CHEK1 O14757 2/20 0.44
MAPT P10636 1/20 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
SCHEMBL14875984 0.87 HRH3 (0.57) HRH3MAPK1CYP1A2CYP2C19NPC1
SCHEMBL31073082 0.86 TRPC6 (0.54) HRH3MAPK1HDAC3HDAC2CYP1A2
SCHEMBL23961033 0.86 HRH3 (0.57) HRH3MAPK1KMT2AALDH1A1MAPT
SCHEMBL25246829 0.86 HRH3 (0.57) HRH3MAPK1HDAC3HDAC2NPC1
SCHEMBL30263227 0.86 HRH3 (0.57) HRH3MAPK1KMT2AALDH1A1MAPT
SCHEMBL24107649 0.85 HRH3 (0.51) HRH3MAPK1HDAC3HDAC2CYP1A2
SCHEMBL24107507 0.85 HRH3 (0.51) HRH3MAPK1HDAC3HDAC2CYP1A2
SCHEMBL733377 0.85 MEN1 (0.47) MAPK1HDAC3HDAC2CYP1A2CYP2C18
SCHEMBL248423 0.85 HRH3 (0.51) HRH3MAPK1HDAC3HDAC2CYP1A2
SCHEMBL20423407 0.84 CHRNB2 (0.53) HRH3MAPK1HDAC3HDAC2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035361-A1 COMPOUNDS FOR MODULATING HUR (ELAVL1) SHANGHAI DEGRON BIOMEDICAL TECH CO LTD (CN) 2026-02-05 US disclosed
EP-3538084-B1 PHENYL AND PYRIDINYL HYDROXAMIC ACIDS ACETYLON PHARMACEUTICALS INC (US) 2023-11-01 EP disclosed
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20210323978-A1 ISOTHIAZOLOPYRIMIDINONES, PYRAZOLOPYRIMIDINONES, AND PYRROLOPYRIMIDINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-21 US disclosed
US-20210323978-A1 ISOTHIAZOLOPYRIMIDINONES, PYRAZOLOPYRIMIDINONES, AND PYRROLOPYRIMIDINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-21 US disclosed
US-10927130-B2 Isothiazolopyrimidinones, pyrazolopyrimidinones, and pyrrolopyrimidinones as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-23 US disclosed
US-10927130-B2 Isothiazolopyrimidinones, pyrazolopyrimidinones, and pyrrolopyrimidinones as ubiquitin-specific protease 7 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-23 US disclosed
US-10927072-B2 Phenyl and pyridinyl hydroxamic acids ACETYLON PHARMACEUTICALS, INC. (US) 2021-02-23 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-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 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 (11 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 1540/4885MAPK1 2734/4885HDAC3 8/4885
US-10927072-B2 Phenyl and pyridinyl hydroxamic acids HDAC6, HDAC1, HDAC5 HRH3 115/4885MAPK1 2026/4885HDAC3 4/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 HRH3 1252/4885MAPK1 2461/4885HDAC3 7/4885
US-10927130-B2 Isothiazolopyrimidinones, pyrazolopyrimidinones, and pyrrolopyrimidinones as ubiquitin-specific protease 7 inhibitors USP7, USP3, SENP7 HRH3 2648/4885MAPK1 2096/4885HDAC3 941/4885
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH3 3825/4885MAPK1 310/4885HDAC3 225/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HRH3 3902/4885MAPK1 42/4885HDAC3 783/4885
US-20210323978-A1 ISOTHIAZOLOPYRIMIDINONES, PYRAZOLOPYRIMIDINONES, AND PYRROLOPYRIMIDINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, USP3, SENP7 HRH3 2648/4885MAPK1 2096/4885HDAC3 941/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH3 1893/4885MAPK1 105/4885HDAC3 16/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH3 3825/4885MAPK1 310/4885HDAC3 225/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HRH3 1232/4885MAPK1 2270/4885HDAC3 7/4885
US-20260035361-A1 COMPOUNDS FOR MODULATING HUR (ELAVL1) ELAVL1, ELAVL3, HNRNPL HRH3 2688/4885MAPK1 3753/4885HDAC3 94/4885

“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.