SCHEMBL13699207

SCHEMBL13699207

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
CYP2D6 P10635 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 4/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KMT2A Q03164 3/20 0.36
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 0.35
OPRK1 P41145 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL13699221 0.93 CYP2D6 (0.40) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699331 0.91 CHRM1 (0.39) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699295 0.89 CYP2D6 (0.37) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699277 0.89 PKM (0.45) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699133 0.86 PKM (0.45) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699132 0.86 PKM (0.35) PKMTAS1R3TAS1R1MCHR1MAPT
SCHEMBL13699168 0.86 PKM (0.39) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699233 0.84 ALDH1A1 (0.37) PKMCYP2D6NPSR1MAPTALDH1A1
SCHEMBL13699151 0.83 NPC1 (0.43) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699206 0.83 PKM (0.45) PKMCYP2D6TAS1R3TAS1R1SMN1; SMN2

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 1734/4885CYP2D6 1331/4885TAS1R3 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.