SCHEMBL13699168

SCHEMBL13699168

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N(CC)C(=O)c3ccc(OC4CC5CCC(C4)N5C)c(F)c3)cc2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM5 P08912 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CHRM2 P08172 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MCHR1 Q99705 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 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
SCHEMBL13699221 0.93 CYP2D6 (0.40) PKMCYP2D6CHRM1CHRM3CHRM5
SCHEMBL13699206 0.89 PKM (0.45) PKMCYP2D6TAS1R3TAS1R1OPRM1
SCHEMBL13699331 0.87 CHRM1 (0.39) PKMCYP2D6CHRM1CHRM3CHRM5
SCHEMBL13699295 0.87 CYP2D6 (0.37) PKMCYP2D6CHRM1CHRM3CHRM5
SCHEMBL13699132 0.86 PKM (0.35) PKMTAS1R3TAS1R1OPRK1ALDH1A1
SCHEMBL13699207 0.86 PKM (0.41) PKMCYP2D6CHRM1CHRM3CHRM5
SCHEMBL13699233 0.84 ALDH1A1 (0.37) PKMCYP2D6OPRK1NPSR1ALDH1A1
SCHEMBL4228160 0.83 MCHR1 (0.34) PKMTAS1R3TAS1R1SMN1; SMN2NPSR1
SCHEMBL4241135 0.83 SMN1; SMN2 (0.43) PKMCHRM3CHRM5TAS1R3TAS1R1
SCHEMBL13699277 0.82 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 1331/4885CHRM1 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.