SCHEMBL4285854

SCHEMBL4285854

O=C1CCCc2cc(OCC[C@@H]3CN(C(=O)O)CCN3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.49
MAOA P21397 10/20 0.49
HRH3 Q9Y5N1 3/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44

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
SCHEMBL4284643 0.81 MAOB (0.50) MAOBMAOAHRH3ITGB3ITGA2B
SCHEMBL4288580 0.80 MAOA (0.51) MAOBMAOA
SCHEMBL4281703 0.80 RAB9A (0.44) HRH3
SCHEMBL4752778 0.80 RAB9A (0.44) HRH3
SCHEMBL10681764 0.79 MAOB (0.54) MAOBMAOAHRH3
Hydrochloric Acid SCHEMBL4289106 0.78 TSHR (0.41) MAOBITGB3ITGA2B
SCHEMBL4290237 0.78 MAOB (0.51) MAOBMAOA
SCHEMBL4294977 0.78 NPC1 (0.45) HRH3
SCHEMBL3493396 0.77 TEAD1 (0.46)
SCHEMBL4291445 0.77 TSHR (0.41) MAOBMAOAITGB3ITGA2B

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 MAOB 550/4885MAOA 660/4885HRH3 1248/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAOB 550/4885MAOA 660/4885HRH3 1248/4885

“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.