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SCHEMBL1018922

SCHEMBL1018922

CC(C)(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 10/20 0.46
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PRKAB2 O43741 2/20 0.40
▸ PRKAG1 P54619 2/20 0.40
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAA1 Q13131 2/20 0.40
▸ PRKAG3 Q9UGI9 2/20 0.40
▸ PRKAG2 Q9UGJ0 2/20 0.40
▸ PRKAB1 Q9Y478 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ FAAH O00519 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
SCHEMBL1019444 0.90 ACKR3 (0.42) ACKR3ALDH1A1LMNA
SCHEMBL12954825 0.87 MEN1 (0.46) ACKR3ALDH1A1LMNAPRKAB2PRKAG1
Trifluoroacetic Acid SCHEMBL1018638 0.85 PRKAB2 (0.48) ACKR3ALDH1A1LMNAPRKAB2PRKAG1
SCHEMBL3799634 0.85 ACKR3 (0.40) ACKR3ALDH1A1
SCHEMBL1019900 0.84 ALDH1A1 (0.42) ACKR3ALDH1A1LMNAFAAH
SCHEMBL1020509 0.83 ACKR3 (0.45) ACKR3ALDH1A1LMNA
SCHEMBL1019812 0.82 PRKAB2 (0.47) ALDH1A1LMNAPRKAB2PRKAG1PRKAA2
SCHEMBL1020199 0.82 TP53 (0.51) ACKR3ALDH1A1
SCHEMBL1020119 0.80 ALDH1A1 (0.47) ACKR3ALDH1A1LMNA
SCHEMBL1019162 0.80 MEN1 (0.44) ACKR3ALDH1A1LMNA

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
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
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 ACKR3 1939/4885ALDH1A1 1749/4885LMNA 1395/4885

“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.