SCHEMBL13699330

SCHEMBL13699330

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCC([N+](C)(C)C)CC4)cc3)cc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 6/20 0.41
GAA P10253 2/20 0.41
MCHR1 Q99705 4/20 0.41
NAMPT P43490 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HTT P42858 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL13699433 0.91 PKM (0.47) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13699303 0.89 PKM (0.45) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4236654 0.89 PKM (0.47) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4229212 0.88 MCHR1 (0.51) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4231912 0.86 PKM (0.45) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4236845 0.86 HRH3 (0.48) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4233292 0.86 HRH3 (0.48) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4235333 0.86 SMN1; SMN2 (0.52) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4232733 0.85 PKM (0.45) PKMALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13699277 0.85 PKM (0.45) PKMALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R PKM 1734/4885ALDH1A1 4542/4885RAB9A 2492/4885

“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.