SCHEMBL1374072

SCHEMBL1374072

Cc1ccc(N2CCN(C(=O)CCCCCC(=O)NOCc3ccccc3)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
GRM5 P41594 4/20 0.47
AR P10275 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC3 O15379 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ME2 P23368 2/20 0.46
ME1 P48163 2/20 0.46
ME3 Q16798 2/20 0.46
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1376650 0.81 HDAC1 (0.68) CNR1CNR2MAPTNPSR1LMNA
SCHEMBL14032587 0.81 CNR1 (0.59) CNR1CNR2MAPTNPSR1LMNA
SCHEMBL1377306 0.80 HTR7 (0.54) MAPTNPSR1LMNAHDAC3NCOR2
SCHEMBL13627285 0.79 MAPT (0.68) MAPTNPSR1LMNAHDAC1HTR1A
SCHEMBL3794409 0.79 ME2 (0.68) CNR1CNR2MAPTNPSR1LMNA
SCHEMBL1374160 0.78 ALDH1A1 (0.62) MAPTNPSR1LMNAGRM5HTR7
SCHEMBL1377933 0.75 HRH3 (0.50) MAPTLMNAHDAC1HDAC3NCOR2
SCHEMBL1375095 0.74 GPR183 (0.62) MAPTLMNAHDAC1NPC1RAB9A
SCHEMBL6763786 0.74 HDAC3 (0.74) HDAC1HDAC3NCOR2NPC1RAB9A
SCHEMBL9191952 0.73 HDAC3 (0.71) HDAC1HDAC3NCOR2NPC1RAB9A

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 CNR1 1016/4885CNR2 910/4885MAPT 2594/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 CNR1 1717/4885CNR2 1537/4885MAPT 1214/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 CNR1 1717/4885CNR2 1537/4885MAPT 1214/4885

“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.