SCHEMBL803170

SCHEMBL803170

CCN(C(=O)OC(C)(C)C)[C@@H]1CCc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
BCHE P06276 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL883734 0.87 ACHE (0.40) ACHEMAOAMAOBBCHE
SCHEMBL15447554 0.85 ACHE (0.45) ACHE
SCHEMBL6483133 0.85 ACHE (0.45) ACHE
SCHEMBL19479423 0.84 ACHE (0.40) ACHEMAOAMAOBBCHE
SCHEMBL785293 0.84 ACHE (0.38) ACHEMEN1KMT2AMAOAMAOB
SCHEMBL785294 0.84 ACHE (0.38) ACHEMEN1KMT2AMAOAMAOB
SCHEMBL784422 0.82 HTR2A (0.41) ACHEMEN1KMT2A
SCHEMBL26291402 0.79 NFKB1 (0.34) MEN1KMT2A
SCHEMBL12450286 0.79 ACHE (0.41) ACHEMAOAMAOBBCHE
SCHEMBL26291385 0.76 DGAT1 (0.38) MEN1KMT2A

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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 746/4885MEN1 2563/4885KMT2A 2222/4885

“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.