SCHEMBL1374776

SCHEMBL1374776

COC(=O)CCCCCCC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
NPSR1 Q6W5P4 3/20 0.76
LMNA P02545 2/20 0.76
HTR1A P08908 2/20 0.65
HTR7 P34969 2/20 0.65
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.54
GLA P06280 1/20 0.54
HDAC1 Q13547 1/20 0.53
CACNA1G O43497 1/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL13936595 0.90 MAPT (0.68) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL1374666 0.87 MAPT (0.72) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL21471586 0.87 MAPT (0.56) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL11256362 0.85 MAPT (0.82) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL11256236 0.85 MAPT (0.82) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL7696482 0.85 MAPT (0.82) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL10726722 0.85 MAPT (0.82) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL7698031 0.85 MAPT (0.82) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL9565881 0.85 MAPT (0.82) MAPTNPSR1LMNAHTR1AHTR7
SCHEMBL13080421 0.85 MAPT (0.82) MAPTNPSR1LMNAHTR1AHTR7

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 MAPT 2594/4885NPSR1 4323/4885LMNA 655/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 MAPT 1214/4885NPSR1 3548/4885LMNA 2569/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 MAPT 1214/4885NPSR1 3548/4885LMNA 2569/4885

“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.