SCHEMBL784605

SCHEMBL784605

CCN(C(=O)CC(C)C(C)C)C1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.40
ACHE P22303 4/20 0.35
TRPM8 Q7Z2W7 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SRD5A2 P31213 1/20 0.33
DRD2 P14416 1/20 0.32

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
SCHEMBL803776 1.00 DRD3 (0.40) DRD3ACHETRPM8ALDH1A1SRD5A2
SCHEMBL803743 0.88 DRD3 (0.36) DRD3ACHEALDH1A1
SCHEMBL803298 0.86 DRD3 (0.39) DRD3ACHETRPM8ALDH1A1SRD5A2
SCHEMBL785634 0.86 DRD3 (0.39) DRD3ACHETRPM8ALDH1A1SRD5A2
SCHEMBL785355 0.78 DRD3 (0.42) DRD3ACHEALDH1A1SRD5A2
SCHEMBL785353 0.78 DRD3 (0.42) DRD3ACHEALDH1A1SRD5A2
SCHEMBL785253 0.76 DRD3 (0.40) DRD3ACHETRPM8ALDH1A1SRD5A2
SCHEMBL785252 0.76 DRD3 (0.40) DRD3ACHETRPM8ALDH1A1SRD5A2
SCHEMBL803555 0.75 ACHE (0.38) DRD3ACHEALDH1A1
SCHEMBL784638 0.75 DRD3 (0.41) DRD3ACHETRPM8DRD2

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 2 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-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 85/4885ACHE 746/4885TRPM8 180/4885

“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.