SCHEMBL13617372

SCHEMBL13617372

CCCCn1c(C)cc(C)c(C(=O)NCCc2ccccc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CNR2 P34972 4/20 0.55
CNR1 P21554 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL13991203 0.89 CNR2 (0.65) MEN1KMT2ACNR2CNR1USP2
SCHEMBL2736550 0.83 L3MBTL1 (0.60) MEN1KMT2ACNR2CNR1L3MBTL1
SCHEMBL13991132 0.83 MEN1 (0.66) MEN1KMT2ACNR2CNR1L3MBTL1
SCHEMBL2736723 0.78 CNR2 (0.80) MEN1KMT2ACNR2CNR1LMNA
SCHEMBL2736714 0.78 CNR2 (0.70) MEN1KMT2ACNR2CNR1LMNA
SCHEMBL11534161 0.76 LMNA (0.48) MEN1KMT2ACNR2CNR1L3MBTL1
SCHEMBL2736779 0.76 CNR2 (0.73) MEN1KMT2ACNR2CNR1SMN1; SMN2
SCHEMBL11536142 0.76 MAPT (0.51) MEN1KMT2AKDM4EHSD17B10TAAR1
SCHEMBL2736725 0.74 CNR2 (0.61) MEN1KMT2ACNR2CNR1L3MBTL1
SCHEMBL2736719 0.74 CNR2 (0.66) MEN1KMT2ACNR2CNR1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US 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-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 MEN1 4507/4885KMT2A 2819/4885CNR2 2/4885

“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.