SCHEMBL1374070

SCHEMBL1374070

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 8/20 0.59
CACNA2D1 P54289 5/20 0.58
CACNA1B Q00975 5/20 0.58
CACNB1 Q02641 5/20 0.58
CACNA1C Q13936 4/20 0.58
CACNA1H O95180 1/20 0.58
NPC1 O15118 1/20 0.56
KMT2A Q03164 1/20 0.55
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL1375212 0.88 CACNA1G (0.57) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31350801 0.87 CACNA2D1 (0.67) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18263736 0.86 KMT2A (0.71) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18271350 0.86 KMT2A (0.71) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18263701 0.86 KMT2A (0.71) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL12431993 0.85 CACNA1G (0.59) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18271367 0.84 KMT2A (0.48) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL21663512 0.84 KMT2A (0.56) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1377935 0.84 CACNA1G (0.60) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL12150956 0.84 CACNA1G (0.60) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C

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 CACNA1G 3223/4885CACNA2D1 2520/4885CACNA1B 3971/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 CACNA1G 3528/4885CACNA2D1 1827/4885CACNA1B 3376/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 CACNA1G 3528/4885CACNA2D1 1827/4885CACNA1B 3376/4885

“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.