SCHEMBL1018993

SCHEMBL1018993

CC(C)(NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)cc3)CC2)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 7/20 0.47
UBE2M P61081 6/20 0.47
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
ACKR3 P25106 6/20 0.45
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL12954974 0.92 DRD2 (0.47) DCUN1D1UBE2MACKR3KMT2ADRD2
Hydrochloric Acid SCHEMBL1074147 0.91 ACKR3 (0.46) DCUN1D1UBE2MACKR3KMT2ADRD2
SCHEMBL12954826 0.89 ACKR3 (0.45) DCUN1D1UBE2MPRKAB2PRKAG1PRKAA2
Trifluoroacetic Acid SCHEMBL1021467 0.88 SLC2A1 (0.48) DCUN1D1UBE2MPRKAB2PRKAG1PRKAA2
SCHEMBL1019812 0.86 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1018709 0.85 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1020121 0.85 ACKR3 (0.47) DCUN1D1UBE2MPRKAB2PRKAG1PRKAA2
SCHEMBL2474532 0.84 UBE2M (0.53) DCUN1D1UBE2MPRKAB2PRKAG1PRKAA2
SCHEMBL1018857 0.84 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1020811 0.82 MEN1 (0.49) KMT2AALDH1A1SIGMAR1

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 DCUN1D1 4520/4885UBE2M 1792/4885PRKAB2 3753/4885

“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.