SCHEMBL13699221

SCHEMBL13699221

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N(CC)C(=O)c3ccc(OC4CC5CCC(C4)N5C)cc3)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
PKM P14618 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
CHRM5 P08912 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 2/20 0.36
MCHR1 Q99705 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
QPCT Q16769 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
SCHEMBL13699331 0.94 CHRM1 (0.39) CYP2D6PKMTAS1R3TAS1R1CHRM1
SCHEMBL13699132 0.93 PKM (0.35) PKMTAS1R3TAS1R1MCHR1MAPT
SCHEMBL13699168 0.93 PKM (0.39) CYP2D6PKMTAS1R3TAS1R1CHRM1
SCHEMBL13699207 0.93 PKM (0.41) CYP2D6PKMTAS1R3TAS1R1CHRM1
SCHEMBL13699295 0.92 CYP2D6 (0.37) CYP2D6PKMTAS1R3TAS1R1CHRM1
SCHEMBL13699233 0.91 ALDH1A1 (0.37) CYP2D6PKMNPSR1MAPTALDH1A1
SCHEMBL13699277 0.88 PKM (0.45) CYP2D6PKMTAS1R3TAS1R1SMN1; SMN2
SCHEMBL4237691 0.87 SMN1; SMN2 (0.43) PKMTAS1R3TAS1R1CHRM3CHRM5
SCHEMBL13699133 0.85 PKM (0.45) CYP2D6PKMTAS1R3TAS1R1SMN1; SMN2
SCHEMBL4240156 0.84 MCHR1 (0.39) PKMTAS1R3TAS1R1CHRM1CHRM3

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 CYP2D6 1331/4885PKM 1734/4885TAS1R3 1436/4885

“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.