SCHEMBL1019852

SCHEMBL1019852

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)cc3F)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACKR3 P25106 2/20 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
SCHEMBL1021013 0.90 KDM4E (0.45) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL1020509 0.89 ACKR3 (0.45) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL1022014 0.89 MEN1 (0.47) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL1020125 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL1020889 0.87 GAA (0.52) ALDH1A1KDM4EHTTSMN1; SMN2TDP1
SCHEMBL1019725 0.87 KDM4E (0.47) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL1017900 0.86 MEN1 (0.53) ALDH1A1KDM4ESMN1; SMN2TSHRMEN1
SCHEMBL1018550 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL1020269 0.85 MEN1 (0.49) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL1019241 0.84 KDM4E (0.45) ALDH1A1KDM4EHTTSMN1; SMN2TSHR

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 11 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
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
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-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
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US 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
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 ALDH1A1 1749/4885KDM4E 3490/4885HTT 2073/4885

“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.