SCHEMBL13699206

SCHEMBL13699206

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CC5CCC(C4)N5C)c(F)c3)cc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 4/20 0.41
CYP2D6 P10635 1/20 0.41
NAMPT P43490 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KMT2A Q03164 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
SCHEMBL13699133 0.94 PKM (0.45) PKMNPC1ALDH1A1TP53RAB9A
SCHEMBL13699277 0.92 PKM (0.45) PKMNPC1ALDH1A1TP53RAB9A
SCHEMBL13699151 0.91 NPC1 (0.43) PKMNPC1ALDH1A1TP53RAB9A
SCHEMBL13699147 0.89 PKM (0.41) PKMNAMPTTAS1R3TAS1R1KCNQ3
SCHEMBL13699154 0.89 PKM (0.42) PKMSMN1; SMN2MCHR1CYP2D6TAS1R3
SCHEMBL13699168 0.89 PKM (0.39) PKMALDH1A1SMN1; SMN2MCHR1CYP2D6
SCHEMBL4227215 0.88 SMN1; SMN2 (0.44) PKMNPC1ALDH1A1TP53RAB9A
SCHEMBL13699190 0.87 TAS1R3 (0.42) PKMNPC1ALDH1A1TP53RAB9A
SCHEMBL4229209 0.86 PKM (0.43) PKMNPC1ALDH1A1TP53RAB9A
SCHEMBL13699252 0.86 PKM (0.44) PKMNPC1ALDH1A1TP53RAB9A

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
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
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 1734/4885NPC1 2338/4885ALDH1A1 4542/4885

“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.