SCHEMBL1023095

SCHEMBL1023095

CC(C)[C@H]1CN(C(=O)c2ccc(N)c(F)c2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.43
▸ SCN9A Q15858 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD11B1 P28845 3/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA4 P22748 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ REN P00797 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ PRKCQ Q04759 2/20 0.36
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL1023096 1.00 HDAC1 (0.43) HDAC1SCN9AMEN1KMT2AHSD11B1
SCHEMBL1018987 0.77 SIGMAR1 (0.53) HDAC1MEN1KMT2AHSD11B1HDAC6
SCHEMBL15651448 0.75 HSD11B1 (0.48) HDAC1MEN1KMT2AHSD11B1HDAC6
SCHEMBL15651449 0.75 HSD11B1 (0.48) HDAC1MEN1KMT2AHSD11B1HDAC6
SCHEMBL22012072 0.74 HDAC1 (0.47) HDAC1MEN1KMT2AHSD11B1HDAC6
SCHEMBL1019313 0.73 PTK6 (0.45) HDAC1MEN1KMT2AHSD11B1HDAC6
SCHEMBL21962176 0.72 SMN1; SMN2 (0.55) HDAC1MEN1KMT2AHSD11B1HDAC6
SCHEMBL355576 0.72 HPGD (0.56) HDAC1MEN1KMT2AHDAC6
SCHEMBL22650841 0.72 L3MBTL3 (0.56) HSD11B1ATR
SCHEMBL16982524 0.72 KMT2A (0.75) HDAC1MEN1KMT2AHDAC6

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 HDAC1 1756/4885SCN9A 2974/4885MEN1 4243/4885

“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.

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