SCHEMBL1374039

SCHEMBL1374039

COC(=O)CCCCCCC(=O)N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.65
DRD2 P14416 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
TSHR P16473 2/20 0.62
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTR7 P34969 3/20 0.59
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTR1D P28221 2/20 0.57
HTR1B P28222 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
KCNH2 Q12809 2/20 0.57
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL7666917 0.90 HTR1A (0.65) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL28523079 0.89 HTR1A (0.67) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL7672873 0.89 L3MBTL1 (0.65) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL28907245 0.89 HTR1A (0.67) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL7692830 0.89 L3MBTL1 (0.68) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL1377880 0.88 HTR1A (0.63) HTR1ADRD2L3MBTL1TSHRHTR7
SCHEMBL7367526 0.88 L3MBTL1 (0.67) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL8902187 0.86 HTR1A (0.67) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL8901177 0.86 HTR1A (0.67) HTR1ADRD2L3MBTL1TSHRPOLB
SCHEMBL8724506 0.86 HTR1A (0.67) HTR1ADRD2L3MBTL1TSHRPOLB

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 HTR1A 4135/4885DRD2 4358/4885L3MBTL1 1030/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HTR1A 4414/4885DRD2 4664/4885L3MBTL1 3908/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HTR1A 4414/4885DRD2 4664/4885L3MBTL1 3908/4885

“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.