SCHEMBL784565

SCHEMBL784565

CN(C(=O)C1CCCC1)[C@@H]1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ACHE P22303 4/20 0.41
HCRTR2 O43614 1/20 0.40
DRD3 P35462 2/20 0.39
RAB9A P51151 1/20 0.38
SRD5A2 P31213 1/20 0.38
KDM1A O60341 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 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
SCHEMBL784567 1.00 ALDH1A1 (0.41) ALDH1A1ACHEHCRTR2DRD3RAB9A
SCHEMBL803205 0.86 HCRTR2 (0.44) ALDH1A1ACHEHCRTR2RAB9A
SCHEMBL785353 0.84 DRD3 (0.42) ALDH1A1ACHEDRD3SRD5A2
SCHEMBL785355 0.84 DRD3 (0.42) ALDH1A1ACHEDRD3SRD5A2
SCHEMBL13131171 0.82 ACHE (0.57) ALDH1A1ACHEDRD3KDM1ATRPM8
SCHEMBL803268 0.81 ALDH1A1 (0.42) ALDH1A1ACHEDRD3RAB9AXBP1
SCHEMBL785380 0.81 ALDH1A1 (0.42) ALDH1A1ACHEDRD3RAB9AXBP1
SCHEMBL784751 0.80 ALDH1A1 (0.40) ALDH1A1ACHEDRD3RAB9AXBP1
SCHEMBL784750 0.80 ALDH1A1 (0.40) ALDH1A1ACHEDRD3RAB9AXBP1
SCHEMBL484696 0.78 ACHE (0.44) ALDH1A1ACHEDRD3KDM1ATRPM8

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 6 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-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
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 ALDH1A1 1267/4885ACHE 746/4885HCRTR2 500/4885

“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.