SCHEMBL784422

SCHEMBL784422

CCN(C(=O)O)C1CCc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
REN P00797 2/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL19521142 0.92 ACHE (0.40) HTR2AHTR2CHTR2BACHEMEN1
SCHEMBL21954384 0.83 ACHE (0.45) HTR2AHTR2CHTR2BACHE
SCHEMBL803170 0.82 ACHE (0.41) ACHEMEN1KMT2A
SCHEMBL19521139 0.82 TMEM97 (0.41) HTR2AHTR2CHTR2BACHE
SCHEMBL27856415 0.80 ACHE (0.39) HTR2AHTR2CHTR2BACHEPTGDR
SCHEMBL27838563 0.80 ACHE (0.39) HTR2AHTR2CHTR2BACHEPTGDR
SCHEMBL18497279 0.80 ACHE (0.40) HTR2AHTR2CHTR2BACHEPTGDR
SCHEMBL3645107 0.76 ACHE (0.51) HTR2AHTR2CHTR2BACHE
SCHEMBL1576021 0.76 ACHE (0.51) HTR2AHTR2CHTR2BACHE
SCHEMBL30896364 0.76 ACHE (0.51) HTR2AHTR2CHTR2BACHE

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 HTR2A 475/4885HTR2C 549/4885HTR2B 88/4885

“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.