SCHEMBL784544

SCHEMBL784544

Cc1ccccc1C(=O)N(C(C)C)C1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.43
DRD3 P35462 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD11B1 P28845 2/20 0.35
TBXA2R P21731 1/20 0.35
SRD5A2 P31213 1/20 0.35
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 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
SCHEMBL785923 1.00 TRPM8 (0.43) TRPM8DRD3CYP1A2CYP2D6CYP2C19
SCHEMBL803728 0.89 TRPM8 (0.39) TRPM8DRD3CYP1A2CYP2D6CYP2C19
SCHEMBL785968 0.88 TRPM8 (0.47) TRPM8DRD3
SCHEMBL785967 0.88 TRPM8 (0.47) TRPM8DRD3
SCHEMBL785072 0.85 SPR (0.41) TRPM8DRD3KMT2AACHE
SCHEMBL785415 0.85 SPR (0.41) TRPM8DRD3KMT2AACHE
SCHEMBL784638 0.83 DRD3 (0.41) TRPM8DRD3TBXA2RKMT2AACHE
SCHEMBL784639 0.83 DRD3 (0.41) TRPM8DRD3TBXA2RKMT2AACHE
SCHEMBL784735 0.83 TRPM8 (0.42) TRPM8DRD3SRD5A2SLC6A2SLC6A4
SCHEMBL803606 0.83 TRPM8 (0.42) TRPM8DRD3SRD5A2SLC6A2SLC6A4

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 TRPM8 180/4885DRD3 85/4885CYP1A2 1988/4885

“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.