SCHEMBL803555

SCHEMBL803555

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD3 P35462 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MAPT P10636 1/20 0.35
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NAMPT P43490 1/20 0.34
ACACB O00763 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
SCHEMBL803298 0.88 DRD3 (0.39) ACHEALDH1A1XBP1HTTDRD3
SCHEMBL785634 0.88 DRD3 (0.39) ACHEALDH1A1XBP1HTTDRD3
SCHEMBL803743 0.87 DRD3 (0.36) ACHEALDH1A1MEN1KMT2ADRD3
SCHEMBL803741 0.81 NAMPT (0.45) ACHEALDH1A1XBP1HTTMEN1
SCHEMBL13131173 0.80 ACHE (0.56) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL803230 0.80 MEN1 (0.40) ACHEALDH1A1XBP1HTTMEN1
SCHEMBL803739 0.79 ACHE (0.37) ACHEALDH1A1MEN1KMT2ADRD3
SCHEMBL803234 0.78 KMT2A (0.45) ACHEALDH1A1MEN1KMT2AHCRTR1
SCHEMBL803205 0.77 HCRTR2 (0.44) ACHEALDH1A1MEN1KMT2AHCRTR2
SCHEMBL485030 0.76 ACHE (0.43) ACHEALDH1A1MEN1KMT2AMAPT

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 746/4885ALDH1A1 1267/4885XBP1 3609/4885

“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.