SCHEMBL1021709

SCHEMBL1021709

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cn4)c(F)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
IGF1R P08069 2/20 0.43
PRKAB2 O43741 3/20 0.42
PRKAG1 P54619 3/20 0.42
PRKAA2 P54646 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAG3 Q9UGI9 3/20 0.42
PRKAG2 Q9UGJ0 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
STAT3 P40763 3/20 0.41
ITK Q08881 1/20 0.40

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
SCHEMBL3762052 0.87 ACKR3 (0.46) ACKR3HIF1AEPAS1SIGMAR1STAT3
SCHEMBL1019490 0.85 ALDH1A1 (0.50) ACKR3
SCHEMBL12955112 0.84 NPC1 (0.49)
SCHEMBL1019814 0.84 ACKR3 (0.41) ACKR3SIGMAR1PRKAB2PRKAG1PRKAA2
SCHEMBL1019698 0.83 ALDH1A1 (0.49) ACKR3HIF1AEPAS1
SCHEMBL1018852 0.83 MEN1 (0.42) ACKR3
SCHEMBL1019162 0.82 MEN1 (0.44) ACKR3
SCHEMBL1022475 0.82 ADORA2A (0.49) ACKR3ITK
Trifluoroacetic Acid SCHEMBL1021698 0.82 NPC1 (0.46)
SCHEMBL1018522 0.82 MEN1 (0.42) ACKR3

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 8 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
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
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

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 ACKR3 1939/4885HIF1A 3423/4885EPAS1 1101/4885

“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.