SCHEMBL4242397

SCHEMBL4242397

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NCCOC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.65
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPY5R Q15761 2/20 0.43
MTNR1B P49286 1/20 0.43
RAF1 P04049 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MCHR1 Q99705 1/20 0.41
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL4236844 0.87 PKM (0.55) PKMTAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL4238811 0.85 PKM (0.50) PKMCYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4237265 0.81 TAS1R3 (0.52) PKMMAPK1TAS1R3TAS1R1KDM4E
SCHEMBL4236386 0.81 PKM (0.53) PKMCYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4227928 0.80 PKM (0.69) PKMCYP2C9CYP2C19MAPK1TAS1R3
SCHEMBL4784915 0.79 EPHX1 (0.54) ALDH1A1MTNR1BEPHX2
SCHEMBL4226948 0.78 PKM (0.53) PKMTAS1R3TAS1R1ALDH1A1MTNR1B
SCHEMBL4236704 0.78 PKM (0.66) PKMCYP2C9CYP2C19MAPK1TAS1R3
SCHEMBL5151849 0.77 PKM (0.51) PKMCYP2C9CYP2C19MAPK1TAS1R3
SCHEMBL4242236 0.76 PKM (0.56) PKMMAPK1TAS1R3TAS1R1ALDH1A1

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 5 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
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO 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 1734/4885CYP2C9 1439/4885CYP2C19 733/4885

“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.