SCHEMBL4297672

SCHEMBL4297672

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NCCN4CCCC4)c(F)c3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
EPHX2 P34913 1/20 0.42
GLS O94925 1/20 0.42
EEF2K O00418 1/20 0.42
CACNA1G O43497 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1019575 0.91 MEN1 (0.42) KMT2AMEN1EPHX2LMNATSHR
SCHEMBL1019026 0.90 CCR3 (0.47) KMT2AMEN1EEF2KLMNATSHR
SCHEMBL1018649 0.90 MEN1 (0.42) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL1019141 0.89 ACKR3 (0.43) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL1018580 0.89 MEN1 (0.41) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL1019162 0.89 MEN1 (0.44) KMT2AMEN1EPHX2LMNATSHR
SCHEMBL1021014 0.88 KDM4E (0.48) KMT2AMEN1EPHX2LMNATSHR
SCHEMBL1018897 0.88 MEN1 (0.41) KMT2AMEN1EPHX2LMNATSHR
SCHEMBL1019818 0.87 MEN1 (0.42) KMT2AMEN1EPHX2LMNATSHR
SCHEMBL1020048 0.87 MEN1 (0.42) KMT2AMEN1LMNATSHRMAPK1

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 6 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-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 KMT2A 4268/4885MEN1 4243/4885EPHX2 1236/4885

“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.