SCHEMBL784108

SCHEMBL784108

CC(C)CNC1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
ACHE P22303 11/20 0.44
DRD3 P35462 1/20 0.43
ADRB3 P13945 1/20 0.40
BACE1 P56817 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL785601 0.87 MEN1 (0.46) MAOAMAOBACHEBCHE
SCHEMBL785602 0.87 MEN1 (0.46) MAOAMAOBACHEBCHE
SCHEMBL784661 0.86 ACHE (0.57) MAOAMAOBACHEDRD3BCHE
SCHEMBL784272 0.83 ALDH1A1 (0.45) MAOAMAOBACHEDRD3ALDH1A1
SCHEMBL785600 0.83 PDE4A (0.42) MAOAMAOBDRD3ALDH1A1HTT
SCHEMBL784523 0.83 PDE4A (0.42) MAOAMAOBDRD3ALDH1A1HTT
SCHEMBL484852 0.81 ACHE (0.54) MAOAMAOBACHEDRD3ALDH1A1
SCHEMBL784694 0.81 CYP1A2 (0.41) MAOAMAOBACHEDRD3ALDH1A1
SCHEMBL785774 0.81 CYP1A2 (0.41) MAOAMAOBACHEDRD3ALDH1A1
SCHEMBL878683 0.81 MAOA (0.42) MAOAMAOBACHEDRD3BCHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAOA 726/4885MAOB 261/4885ACHE 746/4885

“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.