SCHEMBL1374750

SCHEMBL1374750

CCOC(=O)CCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
MAPT P10636 6/20 0.59
POLB P06746 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.55
GFER P55789 1/20 0.54
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52

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
SCHEMBL1374125 0.88 HDAC1 (0.65) ALDH1A1CNR1MAPTPOLBL3MBTL1
SCHEMBL1374666 0.88 MAPT (0.72) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL1374155 0.87 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1GFERLMNA
SCHEMBL7957305 0.84 DRD2 (0.56) ALDH1A1MAPTLMNANPSR1
SCHEMBL1375189 0.84 MAPT (0.69) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL7957399 0.82 DRD2 (0.58) ALDH1A1MAPTLMNANPSR1MEN1
SCHEMBL1376511 0.82 MAPT (0.68) ALDH1A1MAPTPOLBLMNATP53
SCHEMBL21084409 0.80 CNR1 (0.68) ALDH1A1CNR1CNR2MAPTPOLB
SCHEMBL1374761 0.80 ALDH1A1 (0.65) ALDH1A1MAPTLMNANPSR1MEN1
SCHEMBL1375341 0.80 ALDH1A1 (0.65) ALDH1A1MAPTLMNANPSR1MEN1

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 ALDH1A1 1217/4885CNR1 1016/4885CNR2 910/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 ALDH1A1 1221/4885CNR1 1717/4885CNR2 1537/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 ALDH1A1 1221/4885CNR1 1717/4885CNR2 1537/4885

“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.