SCHEMBL4228580

SCHEMBL4228580

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NCCCC(F)(F)F)cc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
FPR2 P25090 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.39
C5 P01031 1/20 0.39
RAF1 P04049 2/20 0.39
MCHR1 Q99705 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL4234195 0.94 PKM (0.53) PKMTAS1R3TAS1R1POLBCYP1A2
SCHEMBL4238746 0.89 PKM (0.54) PKMTAS1R3TAS1R1POLBCYP1A2
SCHEMBL4236386 0.88 PKM (0.53) PKMTAS1R3TAS1R1POLBCYP1A2
SCHEMBL4242236 0.87 PKM (0.56) PKMTAS1R3TAS1R1POLBMAPT
SCHEMBL4236844 0.86 PKM (0.55) PKMTAS1R3TAS1R1POLBMAPT
SCHEMBL4226971 0.86 PKM (0.60) PKMTAS1R3TAS1R1POLBMAPT
SCHEMBL4787223 0.85 KDR (0.49) PKMPOLBMAPTMEN1GAA
SCHEMBL4226948 0.84 PKM (0.53) PKMTAS1R3TAS1R1POLBMAPT
SCHEMBL4238753 0.84 CYP1A2 (0.59) PKMTAS1R3TAS1R1POLBCYP1A2
SCHEMBL4228811 0.81 PKM (0.60) PKMTAS1R3TAS1R1POLBMAPT

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 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.