SCHEMBL1019313

SCHEMBL1019313

CC1(C)CN(C(=O)c2ccc(N)c(F)c2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ REN P00797 1/20 0.39
▸ HSD11B1 P28845 3/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ KDM1A O60341 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
SCHEMBL18019029 0.82 CA12 (0.46) PTK6MEN1KMT2AHDAC1REN
SCHEMBL1018987 0.81 SIGMAR1 (0.53) MEN1KMT2AHDAC1HDAC6HSD11B1
SCHEMBL355576 0.76 HPGD (0.56) MEN1KMT2AHDAC1HDAC6
SCHEMBL21962176 0.76 SMN1; SMN2 (0.55) MEN1KMT2AHDAC1HDAC6HSD11B1
SCHEMBL30066295 0.76 GHSR (0.54) —
SCHEMBL15034004 0.75 GRM5 (0.51) MEN1KMT2A
SCHEMBL16982524 0.75 KMT2A (0.75) MEN1KMT2AHDAC1HDAC6
SCHEMBL348755 0.74 KMT2A (0.55) MEN1KMT2AHDAC1HDAC6HSD11B1
SCHEMBL1023095 0.73 HDAC1 (0.43) MEN1KMT2AHDAC1HDAC6REN
SCHEMBL1023096 0.73 HDAC1 (0.43) MEN1KMT2AHDAC1HDAC6REN

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 5 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
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
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 PTK6 4537/4885MEN1 4243/4885KMT2A 4268/4885

“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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