SCHEMBL1020249

SCHEMBL1020249

CC(C)(C)N(C(=O)C(F)(F)F)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)CC4CCC4)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 8/20 0.46
PRKAG1 P54619 8/20 0.46
PRKAA2 P54646 8/20 0.46
PRKAA1 Q13131 8/20 0.46
PRKAG3 Q9UGI9 8/20 0.46
PRKAG2 Q9UGJ0 8/20 0.46
PRKAB1 Q9Y478 8/20 0.46
ACKR3 P25106 4/20 0.42
SIGMAR1 Q99720 1/20 0.42
FAAH O00519 1/20 0.41
NAMPT P43490 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 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
SCHEMBL1016970 0.86 MAPT (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1018639 0.83 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL1020248 0.81 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3688230 0.80 ACKR3 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1020789 0.77 PRKAA2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1017953 0.77 DCUN1D1 (0.41) ACKR3SIGMAR1KMT2A
SCHEMBL1019198 0.75 SMN1; SMN2 (0.38) ACKR3KMT2A
SCHEMBL1019959 0.72 FAAH (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1021700 0.71 RAB9A (0.46) MEN1KMT2A
SCHEMBL1020194 0.69 ACKR3 (0.44) ACKR3MEN1KMT2A

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 3 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
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US 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 PRKAB2 3753/4885PRKAG1 3711/4885PRKAA2 3532/4885

“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.