SCHEMBL1016970

SCHEMBL1016970

CC(C)(C)N(C(=O)C(F)(F)F)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NCC4CC4)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
PRKAB2 O43741 5/20 0.44
PRKAG1 P54619 5/20 0.44
PRKAA2 P54646 5/20 0.44
PRKAA1 Q13131 5/20 0.44
PRKAG3 Q9UGI9 5/20 0.44
PRKAG2 Q9UGJ0 5/20 0.44
PRKAB1 Q9Y478 5/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SIGMAR1 Q99720 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1018639 0.90 PRKAB2 (0.46) MAPTMAPK1PRKAB2PRKAG1PRKAA2
SCHEMBL1020249 0.86 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL1016969 0.81 PRKAB2 (0.46) MAPTTP53HTTMAPK1PRKAB2
SCHEMBL13660730 0.80 TP53 (0.49) MAPTTP53HTTMAPK1PRKAB2
SCHEMBL1020789 0.80 PRKAA2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1019000 0.78 HTT (0.43) MAPTTP53HTTMAPK1PRKAB2
SCHEMBL1018072 0.78 HTT (0.42) MAPTTP53HTTMAPK1MEN1
SCHEMBL13663413 0.77 TP53 (0.51) MAPTTP53HTTMAPK1PRKAB2
SCHEMBL1017953 0.77 DCUN1D1 (0.41) KMT2ASIGMAR1ALDH1A1
SCHEMBL1020943 0.76 TP53 (0.41) MAPTTP53HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP claimed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP claimed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US claimed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO claimed
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 MAPT 3316/4885TP53 4778/4885HTT 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.