SCHEMBL4283491

SCHEMBL4283491

COCCN1C(=O)CCc2cc(OCC[C@@H]3CN(C(=O)O)CCN3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 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
SCHEMBL4289994 0.95 CHRM1 (0.42) CHRM1DRD2DRD4DRD3
SCHEMBL13705333 0.88 CHRM1 (0.42) CHRM1
SCHEMBL13705332 0.84 CHRM1 (0.44) CHRM1
SCHEMBL4283298 0.83 CHRM1 (0.40) CHRM1DRD2DRD4DRD3
SCHEMBL4292144 0.79 CHRM1 (0.43) CHRM1DRD2DRD4DRD3
SCHEMBL4285458 0.77 KDM4E (0.41) DRD2DRD3
SCHEMBL4288580 0.77 MAOA (0.51) DRD2DRD4DRD3
SCHEMBL4284610 0.77 REN (0.44) DRD2DRD3
SCHEMBL4752088 0.76 DRD3 (0.38) DRD3
SCHEMBL4282314 0.76 DRD3 (0.38) DRD3

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHRM1 3125/4885ITGB3 4810/4885ITGA2B 4826/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHRM1 3125/4885ITGB3 4810/4885ITGA2B 4826/4885

“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.