SCHEMBL1377306

SCHEMBL1377306

O=C(CCCCCCC(=O)N1CCN(c2ncccn2)CC1)NOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.54
KDM4E B2RXH2 5/20 0.53
HTT P42858 2/20 0.53
SLC6A7 Q99884 2/20 0.52
TSHR P16473 2/20 0.49
HDAC3 O15379 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ESR1 P03372 1/20 0.47
MDM2 Q00987 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL1374160 0.90 ALDH1A1 (0.62) HTR7KDM4ETSHRALDH1A1HSD17B10
SCHEMBL1374072 0.80 CNR1 (0.50) HTR7HTTHDAC3NCOR2ALDH1A1
SCHEMBL1374673 0.79 HDAC1 (0.60) HTR7KDM4EHTTTSHRNCOR2
SCHEMBL1375095 0.78 GPR183 (0.62) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL6763786 0.77 HDAC3 (0.74) HDAC3NCOR2NPC1RAB9AKMT2A
SCHEMBL13149796 0.76 ALDH1A1 (0.76) HTR7KDM4EHTTSLC6A7TSHR
SCHEMBL220689 0.76 KDM4E (0.53) HTR7KDM4EHTTTSHRNCOR2
SCHEMBL1377933 0.76 HRH3 (0.50) KDM4ETSHRHDAC3NCOR2ALDH1A1
SCHEMBL9191952 0.76 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AKMT2A
SCHEMBL1376559 0.76 KCNA5 (0.46) HTR7SLC6A7TSHRHDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 US disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
US-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2005-06-30 US disclosed
EP-1492534-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-01-05 EP disclosed
WO-2003082288-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2003-10-09 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 (3 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-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 HTR7 3218/4885KDM4E 37/4885HTT 2082/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HTR7 3180/4885KDM4E 127/4885HTT 1266/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HTR7 3180/4885KDM4E 127/4885HTT 1266/4885

“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.