SCHEMBL4849285

SCHEMBL4849285

CC(C)(C)N(CCNCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 3/20 0.45
GAA P10253 3/20 0.45
MITF O75030 1/20 0.45
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45
MAOA P21397 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
REN P00797 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CHRM2 P08172 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
SCHEMBL25342630 0.87 KDM4E (0.50) HTTL3MBTL1KDM4EMITFHDAC3
SCHEMBL21066550 0.85 CHRM2 (0.51) HDAC1CHRM2RIPK1LMNATMEM97
SCHEMBL21066542 0.84 MEN1 (0.54) KMT2AMEN1L3MBTL1KDM4EATM
SCHEMBL5056848 0.80 TSHR (0.47) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL17849000 0.79 MEN1 (0.37) KMT2AMEN1HTTL3MBTL1REN
SCHEMBL3465010 0.79 BCHE (0.62) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL21247482 0.78 KMT2A (0.63) KMT2AMEN1HTTL3MBTL1TDP1
SCHEMBL4267812 0.78 CNR1 (0.49) HDAC3HDAC1HDAC2HDAC8
SCHEMBL17712674 0.78 RIPK1 (0.53) KMT2AMEN1HTTL3MBTL1GAA
SCHEMBL21066509 0.77 ANO1 (0.39) KMT2AMEN1KDM4EHDAC3HDAC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 EP disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 EP disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 US disclosed
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT REDDY S LAB LIMTED DR (IN) 2016-06-16 US disclosed
US-7405217-B2 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-07-29 US disclosed
US-20070167457-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC 2007-07-19 US disclosed
US-7166608-B2 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-23 US disclosed
US-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-02 US disclosed
EP-1434583-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-07-07 EP disclosed
WO-2003032991-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO 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 (5 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-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, CNR1 KMT2A 759/4885MEN1 2853/4885HTT 879/4885
US-20070167457-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 KMT2A 960/4885MEN1 3090/4885HTT 607/4885
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRK4, NCOA4, GRK3 KMT2A 1680/4885MEN1 4432/4885HTT 1781/4885
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same GRK4, NCOA4, GRK3 KMT2A 1680/4885MEN1 4432/4885HTT 1781/4885
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT KMO, HCRTR2, COMT KMT2A 163/4885MEN1 505/4885HTT 558/4885

“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.