SCHEMBL1374099

SCHEMBL1374099

COC(=O)CCCCCCC(=O)N1CCN(CCOc2ccc3ccccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
DRD3 P35462 4/20 0.56
PDE3B Q13370 3/20 0.53
PDE3A Q14432 3/20 0.53
KDM4E B2RXH2 1/20 0.51
KCNA5 P22460 1/20 0.51
HDAC1 Q13547 1/20 0.49
DRD2 P14416 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 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 0.89 HDAC1 (0.54) HRH3DRD3PDE3BPDE3AKDM4E
SCHEMBL1374669 0.88 HDAC1 (0.67) HRH3DRD3PDE3BPDE3AKDM4E
SCHEMBL10785003 0.80 HDAC1 (0.68) PDE3BPDE3AKDM4EHDAC1ALDH1A1
SCHEMBL3945405 0.79 HDAC1 (0.61) PDE3BPDE3AKDM4EHDAC1ALDH1A1
SCHEMBL1373472 0.74 HDAC1 (0.66) KDM4EHDAC1ALDH1A1LMNAGAA
SCHEMBL6686261 0.73 LTA4H (0.61) HRH3DRD3KCNA5SLC6A2SLC6A4
SCHEMBL17557969 0.73 GLA (0.52) DRD2ALDH1A1
SCHEMBL17557990 0.73 GLA (0.52) DRD2ALDH1A1
SCHEMBL17558008 0.73 GLA (0.52) DRD2ALDH1A1
SCHEMBL17558014 0.72 GLA (0.54) DRD2ALDH1A1

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 HRH3 871/4885DRD3 3714/4885PDE3B 3831/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HRH3 410/4885DRD3 4566/4885PDE3B 2666/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HRH3 410/4885DRD3 4566/4885PDE3B 2666/4885

“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.