SCHEMBL13699250

SCHEMBL13699250

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CYP3A4 P08684 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
MCHR1 Q99705 3/20 0.36
OPRK1 P41145 1/20 0.36
CYP2D6 P10635 1/20 0.36
MCHR2 Q969V1 1/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL13699155 0.94 PKM (0.41) PKMTAS1R3TAS1R1CYP3A4TTK
SCHEMBL13699277 0.91 PKM (0.45) PKMTAS1R3TAS1R1MCHR1CYP2D6
SCHEMBL13699163 0.90 PKM (0.41) PKMTAS1R3TAS1R1CYP3A4TTK
SCHEMBL13699285 0.90 PKM (0.41) PKMTAS1R3TAS1R1CYP3A4TTK
SCHEMBL13699146 0.89 PNLIP (0.45) PKMCYP3A4TTKAURKBINCENP
SCHEMBL13699147 0.89 PKM (0.41) PKMTAS1R3TAS1R1CYP3A4TTK
SCHEMBL13699204 0.88 PKM (0.48) PKMCYP3A4TTKAURKBINCENP
SCHEMBL13699150 0.88 PKM (0.40) PKMTAS1R3TAS1R1CYP3A4TTK
SCHEMBL4234174 0.87 PKM (0.43) PKMTAS1R3TAS1R1
SCHEMBL4238765 0.87 HRH3 (0.47) PKM

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 1734/4885TAS1R3 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.