SCHEMBL1021985

SCHEMBL1021985

CC1CN(C(=O)O)CCN1C(=O)c1ccc(NC(=O)NC2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
EPHX2 P34913 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 2/20 0.46
GAA P10253 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL13660746 0.86 SETD7 (0.55) EPHX1NPC1RAB9AEPHX2SMN1; SMN2
SCHEMBL12954995 0.86 SETD7 (0.55) EPHX1NPC1RAB9AEPHX2SMN1; SMN2
SCHEMBL1020858 0.84 EPHX1 (0.56) EPHX1NPC1RAB9AEPHX2SMN1; SMN2
SCHEMBL12954830 0.79 EPHX1 (0.51) EPHX1NPC1RAB9AEPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL1019531 0.78 EPHX1 (0.50) EPHX1NPC1RAB9AEPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL1019532 0.78 EPHX1 (0.50) EPHX1NPC1RAB9AEPHX2SMN1; SMN2
SCHEMBL3712727 0.76 HTT (0.62) L3MBTL1GAA
SCHEMBL20750605 0.75 L3MBTL1 (0.51) MAPTL3MBTL1GAA
SCHEMBL3711592 0.75 GHSR (0.58) NPC1RAB9AL3MBTL1GAA
SCHEMBL28878111 0.75 GHSR (0.58) NPC1RAB9AL3MBTL1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 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 (1 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 EPHX1 1175/4885NPC1 2/4885RAB9A 2035/4885

“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.