SCHEMBL4226776

SCHEMBL4226776

CCC(CC)NC(=O)Nc1cc(F)c(Oc2ccc(N)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.54
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
POLB P06746 3/20 0.42
MAPK1 P28482 1/20 0.42
FPR2 P25090 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
LMNA P02545 1/20 0.34
GCK P35557 1/20 0.34

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
SCHEMBL4234355 0.90 TAS1R3 (0.57) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4229012 0.89 PKM (0.50) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4226773 0.89 PKM (0.52) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4744778 0.87 PKM (0.52) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4236455 0.86 PKM (0.63) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4236309 0.84 TAS1R3 (0.50) PKMTAS1R3TAS1R1POLBKDR
SCHEMBL4228409 0.84 PKM (0.45) PKMTAS1R3TAS1R1POLBMAPK1
SCHEMBL4236991 0.84 PKM (0.53) PKMTAS1R3TAS1R1MAPTKDR
SCHEMBL4787266 0.81 EPHX2 (0.51) POLBMAPTLMNA
SCHEMBL4233787 0.81 PKM (0.56) PKMTAS1R3TAS1R1POLBMAPK1

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US claimed
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
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R PKM 1734/4885TAS1R3 1436/4885TAS1R1 1073/4885

“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.