SCHEMBL1377495

SCHEMBL1377495

CN(C)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.60
PANK3 Q9H999 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
JAK1 P23458 1/20 0.46
MAPT P10636 1/20 0.46
TGM2 P21980 1/20 0.45
DTYMK P23919 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MMP13 P45452 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
TGFBR1 P36897 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL19143990 0.84 MEN1 (0.55) MEN1KMT2ASMN1; SMN2JAK1MAPT
SCHEMBL5064405 0.84 KMT2A (0.60) MEN1KMT2ASMN1; SMN2MAPTCYP2C19
SCHEMBL2377690 0.84 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2JAK1MAPT
SCHEMBL22800915 0.84 MEN1 (0.55) HRH3PANK3MEN1KMT2ASMN1; SMN2
SCHEMBL4720508 0.83 HSD11B1 (0.60) MEN1KMT2ASMN1; SMN2DTYMKCHRM2
SCHEMBL27502582 0.82 HRH3 (0.62) HRH3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL24507798 0.81 GPR119 (0.53) PANK3MEN1KMT2ASMN1; SMN2JAK1
SCHEMBL24095255 0.81 MEN1 (0.51) PANK3MEN1KMT2ASMN1; SMN2JAK1
SCHEMBL7451729 0.81 GPR119 (0.54) PANK3MEN1KMT2ASMN1; SMN2JAK1
SCHEMBL1377479 0.80 HRH3 (0.68) HRH3PANK3MEN1KMT2ASMN1; SMN2

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 7 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
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 (2 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-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HRH3 410/4885PANK3 3286/4885MEN1 4281/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HRH3 410/4885PANK3 3286/4885MEN1 4281/4885

“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.