SCHEMBL1374669

SCHEMBL1374669

O=C(CCCCCCC(=O)N1CCN(CCOc2ccc3ccccc3c2)CC1)NO

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.67
KCNA5 P22460 1/20 0.51
HRH3 Q9Y5N1 5/20 0.50
DRD3 P35462 2/20 0.50
HDAC8 Q9BY41 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
KDM4E B2RXH2 1/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48

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
SCHEMBL13607015 0.91 HDAC1 (0.54) HDAC1KCNA5HRH3DRD3PDE3B
SCHEMBL1374099 0.88 HRH3 (0.56) HDAC1KCNA5HRH3DRD3PDE3B
SCHEMBL1373472 0.87 HDAC1 (0.66) HDAC1HDAC8KDM4E
SCHEMBL1377385 0.83 HDAC1 (0.65) HDAC1HRH3HDAC8HDAC2HDAC3
SCHEMBL10722326 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL10722160 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL10728312 0.80 HDAC1 (0.97) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL1374149 0.78 HDAC1 (0.63) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL1375273 0.78 HDAC1 (0.64) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL12151096 0.75 SIGMAR1 (0.60) HDAC1HDAC8HDAC2HDAC3HDAC4

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 16 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-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-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-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-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 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
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 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
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 HDAC1 1/4885KCNA5 1943/4885HRH3 871/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC1 2/4885KCNA5 2598/4885HRH3 410/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC1 2/4885KCNA5 2598/4885HRH3 410/4885

“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.