SCHEMBL13699326

SCHEMBL13699326

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CC5CCC(C4)N5C)cc3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM4E B2RXH2 1/20 0.36
BRAF P15056 2/20 0.36
HDAC1 Q13547 2/20 0.36
CYP3A4 P08684 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL13699270 0.97 PKM (0.44) PKMPOLBMAPTTAS1R3TAS1R1
SCHEMBL13699190 0.90 TAS1R3 (0.42) PKMMAPTTAS1R3TAS1R1NPC1
SCHEMBL13699204 0.90 PKM (0.48) PKMNPC1RAB9ASMN1; SMN2OPRK1
SCHEMBL13699147 0.87 PKM (0.41) PKMTAS1R3TAS1R1OPRK1BRAF
SCHEMBL4237921 0.86 CCR3 (0.41) PKM
SCHEMBL4233512 0.84 PKM (0.47) PKMTAS1R3TAS1R1NPC1GAA
SCHEMBL13699285 0.83 PKM (0.41) PKMMAPTTAS1R3TAS1R1NPC1
SCHEMBL13699163 0.83 PKM (0.41) PKMMAPTTAS1R3TAS1R1NPC1
SCHEMBL13699155 0.83 PKM (0.41) PKMTAS1R3TAS1R1NPC1RAB9A
SCHEMBL4236370 0.83 PKM (0.41) PKMMAPTTAS1R3TAS1R1

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 1734/4885POLB 4249/4885MAPT 1398/4885

“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.