SCHEMBL803739

SCHEMBL803739

COC(=O)c1ccc2c(c1)[C@H](N(C(=O)CC(C)C)C(C)C)CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
DRD3 P35462 1/20 0.36
MTNR1A P48039 2/20 0.35
MAPT P10636 1/20 0.35
NQO2 P16083 1/20 0.35
MTNR1B P49286 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACACB O00763 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL785253 0.87 DRD3 (0.40) ACHEKMT2ADRD3TRPM8ALDH1A1
SCHEMBL785252 0.87 DRD3 (0.40) ACHEKMT2ADRD3TRPM8ALDH1A1
SCHEMBL803555 0.79 ACHE (0.38) ACHEKMT2AMEN1DRD3MTNR1A
SCHEMBL28805819 0.79 RORC (0.39) ACHEKMT2AMEN1DRD3MTNR1A
SCHEMBL28805818 0.79 RORC (0.39) ACHEKMT2AMEN1DRD3MTNR1A
SCHEMBL803728 0.79 TRPM8 (0.39) ACHEKMT2AMEN1DRD3MAPT
SCHEMBL13131173 0.78 ACHE (0.56) ACHEKMT2AMEN1MAPTGAA
SCHEMBL803189 0.78 TRPM8 (0.43) KMT2AMEN1MAPTTRPM8HPGD
SCHEMBL803743 0.78 DRD3 (0.36) ACHEKMT2AMEN1DRD3MTNR1A
SCHEMBL803556 0.76 KMT2A (0.47) ACHEKMT2AMEN1MAPTGAA

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 5 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
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
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 746/4885KMT2A 2222/4885MEN1 2563/4885

“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.