SCHEMBL4228945

SCHEMBL4228945

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N)c(F)c2)c(OCCN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
PKM P14618 2/20 0.43
KDR P35968 3/20 0.41
MET P08581 3/20 0.38
MCHR1 Q99705 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
C5 P01031 2/20 0.37
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL4226997 0.89 PKM (0.47) PKMMETMAPTHSD17B10TAS1R3
SCHEMBL4786985 0.84 QPCT (0.46) HRH3KDRMAPTHSD17B10QPCT
SCHEMBL4231850 0.82 PKM (0.48) PKMMAPTTAS1R3TAS1R1
SCHEMBL4233255 0.80 PKM (0.59) PKMTAS1R3TAS1R1
SCHEMBL4237939 0.78 MAPT (0.52) PKMMCHR1MAPTHSD17B10TAS1R3
SCHEMBL4226994 0.78 PKM (0.46) PKMMETMCHR1MAPTHSD17B10
SCHEMBL4683259 0.76 PKM (0.49) HRH3PKMMAPTTAS1R3TAS1R1
SCHEMBL4236665 0.76 PKM (0.52) PKMMCHR1MAPTHSD17B10TAS1R3
SCHEMBL4236991 0.74 PKM (0.53) PKMKDRMETMAPTTAS1R3
SCHEMBL4240208 0.74 PKM (0.63) HRH3PKMTAS1R3TAS1R1

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 5 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
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 HRH3 210/4885PKM 1734/4885KDR 1664/4885

“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.