SCHEMBL13699233

SCHEMBL13699233

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
F7 P08709 1/20 0.37
RORC P51449 1/20 0.36
F10 P00742 1/20 0.36
PKM P14618 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PNLIP P16233 2/20 0.34
OPRK1 P41145 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
SLC2A1 P11166 1/20 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 0.91 CYP2D6 (0.40) ALDH1A1PKMMAPTNPSR1CYP2D6
SCHEMBL13699132 0.91 PKM (0.35) ALDH1A1PKMMAPTOPRK1CYP3A4
SCHEMBL13699146 0.88 PNLIP (0.45) F7RORCPKMMAPTPNLIP
SCHEMBL13699331 0.85 CHRM1 (0.39) PKMMAPTNPSR1CYP2D6
SCHEMBL13699168 0.84 PKM (0.39) ALDH1A1PKMNPSR1OPRK1CYP2D6
SCHEMBL13699295 0.84 CYP2D6 (0.37) ALDH1A1PKMEPHX2NPSR1CYP2D6
SCHEMBL13699207 0.84 PKM (0.41) ALDH1A1PKMMAPTNPSR1OPRK1
SCHEMBL4231908 0.82 ALDH1A1 (0.34) ALDH1A1F7PKMEPHX2MAPT
SCHEMBL13699163 0.79 PKM (0.41) PKMEPHX2MAPTOPRK1CYP3A4
SCHEMBL13699285 0.79 PKM (0.41) PKMEPHX2MAPTOPRK1CYP3A4

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 ALDH1A1 4542/4885F7 2478/4885RORC 759/4885

“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.