SCHEMBL4676940

SCHEMBL4676940

N#Cc1cccc(C2C=CC(=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 8/20 0.44
ABCC9 O60706 3/20 0.44
ABCC8 Q09428 3/20 0.44
KCNJ11 Q14654 3/20 0.44
KCNJ8 Q15842 3/20 0.44
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
USP30 Q70CQ3 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP1 P29466 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL13674316 0.81 DDB1 (0.37) DDB1CRBNUSP30CYP19A1
SCHEMBL1264106 0.76 NFKB1 (0.38) DDB1CRBNNFKB1NPSR1
SCHEMBL27617540 0.73 DRD2 (0.44) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL29683775 0.73 DRD2 (0.50) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL8688588 0.72 DRD2 (0.51) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL4674179 0.72 DRD2 (0.56) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL21452585 0.72 DRD2 (0.49) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL27219407 0.71 DRD2 (0.48) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL18767643 0.71 DRD2 (0.41) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL4875328 0.70 DRD2 (0.67) DRD2DRD3ABCC9ABCC8KCNJ11

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
EP-1453501-B1 N- ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORP (US) 2008-08-13 EP disclosed
US-7348328-B2 MCH antagonists for the treatment of obesity SCHERING CORPORATION (US) 2008-03-25 US disclosed
EP-1453501-A1 N- ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2004-09-08 EP disclosed
US-20040122017-A1 MCH antagonists for the treatment of obesity SCHERING CORPORATION 2004-06-24 US disclosed
WO-2003047568-A1 N-ARYL-N'-ARYLCYCLOALKYL-UREA DERIVATIVES AS MCH ANTAGONISTS FOR THE TREATMENT OF OBESITY SCHERING CORPORATION (US) 2003-06-12 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-20040122017-A1 MCH antagonists for the treatment of obesity MCHR1, MCHR2, MC4R DRD2 257/4885DRD3 321/4885ABCC9 4159/4885

“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.