SCHEMBL1374136

SCHEMBL1374136

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.59
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1374221 0.86 P2RY12 (0.57) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL1374775 0.85 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL1374666 0.85 MAPT (0.72) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL5329789 0.82 L3MBTL1 (0.56) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL1375212 0.81 CACNA1G (0.57) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL1375794 0.79 KMT2A (0.53) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL1376551 0.79 KMT2A (0.53) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL12432045 0.79 BLM (0.58) BLMMAPTSMN1; SMN2NAMPTALDH1A1
SCHEMBL3067438 0.79 BLM (0.57) BLMSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL14520829 0.78 ALDH1A1 (0.59) RAB9ANPC1MAPTSMN1; SMN2GAA

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 BLM 4764/4885RAB9A 3354/4885NPC1 2395/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 BLM 4774/4885RAB9A 3084/4885NPC1 1901/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 BLM 4774/4885RAB9A 3084/4885NPC1 1901/4885

“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.