SCHEMBL803298

SCHEMBL803298

CC(C)C(C)CC(=O)N(C)[C@@H]1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 2/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
SRD5A2 P31213 1/20 0.34
KDM1A O60341 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
SCHEMBL785634 1.00 DRD3 (0.39) DRD3ALDH1A1XBP1HTTACHE
SCHEMBL803555 0.88 ACHE (0.38) DRD3ALDH1A1XBP1HTTACHE
SCHEMBL803776 0.86 DRD3 (0.40) DRD3ALDH1A1ACHETRPM8SRD5A2
SCHEMBL784605 0.86 DRD3 (0.40) DRD3ALDH1A1ACHETRPM8SRD5A2
SCHEMBL803268 0.80 ALDH1A1 (0.42) DRD3ALDH1A1XBP1HTTACHE
SCHEMBL785380 0.80 ALDH1A1 (0.42) DRD3ALDH1A1XBP1HTTACHE
SCHEMBL13131171 0.78 ACHE (0.57) DRD3ALDH1A1ACHETRPM8KDM1A
SCHEMBL784750 0.78 ALDH1A1 (0.40) DRD3ALDH1A1XBP1HTTACHE
SCHEMBL784751 0.78 ALDH1A1 (0.40) DRD3ALDH1A1XBP1HTTACHE
SCHEMBL785252 0.78 DRD3 (0.40) DRD3ALDH1A1ACHETRPM8SRD5A2

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 DRD3 85/4885ALDH1A1 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.