SCHEMBL784661

SCHEMBL784661

CCNC1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.57
DRD3 P35462 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
BCHE P06276 1/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27920400 0.86 ACHE (0.58) ACHEMAOAMAOBBCHE
SCHEMBL803477 0.86 ACHE (0.58) ACHEMAOAMAOBBCHE
SCHEMBL784108 0.86 MAOA (0.45) ACHEDRD3MAOAMAOBBCHE
SCHEMBL876204 0.84 ACHE (0.56) ACHEDRD3MAOAMAOBBCHE
SCHEMBL484852 0.84 ACHE (0.54) ACHEDRD3MAOAMAOBALDH1A1
SCHEMBL878683 0.83 MAOA (0.42) ACHEDRD3MAOAMAOBBCHE
SCHEMBL484566 0.82 MAOA (0.41) ACHEDRD3MAOAMAOBBCHE
SCHEMBL13131222 0.81 CA12 (0.51) ACHEDRD3ALDH1A1
SCHEMBL10277937 0.81 CA12 (0.51) ACHEDRD3ALDH1A1
SCHEMBL784272 0.80 ALDH1A1 (0.45) ACHEDRD3MAOAMAOBALDH1A1

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 ACHE 746/4885DRD3 85/4885MAOA 726/4885

“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.