SCHEMBL13879637

SCHEMBL13879637

CCN(CC)C(=O)/C=C/c1ccc(N(C)C)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TRPM8 Q7Z2W7 4/20 0.53
BCHE P06276 2/20 0.51
MAOA P21397 2/20 0.51
ACHE P22303 2/20 0.51
MAOB P27338 2/20 0.51
APP P05067 4/20 0.46
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
PYGL P06737 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
SCHEMBL11279073 0.85 NPC1 (0.59) NPC1L3MBTL1TRPM8BCHEMAOA
SCHEMBL11279078 0.85 NPC1 (0.59) NPC1L3MBTL1TRPM8BCHEMAOA
SCHEMBL19508587 0.82 HSD17B3 (0.54) NPC1L3MBTL1APPSMN1; SMN2TDP1
SCHEMBL6499766 0.81 ITGB2 (0.52) NPC1L3MBTL1APPITGB2ICAM1
SCHEMBL6499764 0.81 ITGB2 (0.52) NPC1L3MBTL1APPITGB2ICAM1
SCHEMBL13879640 0.76 PYGL (0.62) APPITGB2ICAM1ITGALALDH1A1
SCHEMBL28379022 0.75 NPC1 (0.67) NPC1L3MBTL1TRPM8BCHEMAOA
SCHEMBL11274662 0.75 TRPM8 (0.63) NPC1L3MBTL1TRPM8BCHEMAOA
SCHEMBL11274659 0.75 TRPM8 (0.63) NPC1L3MBTL1TRPM8BCHEMAOA
SCHEMBL31228779 0.72 NPC1 (0.72) NPC1L3MBTL1TRPM8BCHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 NPC1 680/4885L3MBTL1 1550/4885TRPM8 4709/4885

“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.