SCHEMBL13699295

SCHEMBL13699295

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
PKM P14618 1/20 0.37
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CHRM5 P08912 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCHR1 Q99705 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR5 Q9H1C0 2/20 0.34
CHRM2 P08172 2/20 0.34
EPHX2 P34913 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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 0.92 CYP2D6 (0.40) CYP2D6PKMCHRM1CHRM3CHRM5
SCHEMBL13699331 0.91 CHRM1 (0.39) CYP2D6PKMCHRM1CHRM3CHRM5
SCHEMBL13699207 0.89 PKM (0.41) CYP2D6PKMCHRM1CHRM3CHRM5
SCHEMBL4242234 0.88 SMN1; SMN2 (0.41) PKMTAS1R3TAS1R1SMN1; SMN2NPSR1
SCHEMBL13699168 0.87 PKM (0.39) CYP2D6PKMCHRM1CHRM3CHRM5
SCHEMBL13699132 0.86 PKM (0.35) PKMTAS1R3TAS1R1MCHR1LPAR1
SCHEMBL13699277 0.85 PKM (0.45) CYP2D6PKMTAS1R3TAS1R1SMN1; SMN2
SCHEMBL13699233 0.84 ALDH1A1 (0.37) CYP2D6PKMNPSR1EPHX2ALDH1A1
SCHEMBL4237948 0.83 MCHR1 (0.34) PKMTAS1R3TAS1R1SMN1; SMN2NPSR1
SCHEMBL13699133 0.82 PKM (0.45) CYP2D6PKMTAS1R3TAS1R1SMN1; 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 CYP2D6 1331/4885PKM 1734/4885CHRM1 122/4885

“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.