SCHEMBL803728

SCHEMBL803728

COC(=O)c1ccc2c(c1)[C@H](N(C(=O)c1ccccc1C)C(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TRPA1 O75762 2/20 0.34
DRD3 P35462 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
SCHEMBL803189 0.89 TRPM8 (0.43) TRPM8KMT2AMEN1MAPTALDH1A1
SCHEMBL784544 0.89 TRPM8 (0.43) TRPM8CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL785923 0.89 TRPM8 (0.43) TRPM8CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL803576 0.86 LMNA (0.40) TRPM8LMNATP53KMT2AMEN1
SCHEMBL803175 0.85 LMNA (0.39) LMNATP53CYP1A2CYP2D6CYP2C19
SCHEMBL803197 0.84 LMNA (0.40) TRPM8LMNATP53KMT2AMEN1
SCHEMBL803210 0.84 SLC6A2 (0.39) TRPM8LMNAKMT2AMEN1MAPT
SCHEMBL803216 0.81 TRPM8 (0.36) TRPM8HSD11B1
SCHEMBL803577 0.81 TRPM8 (0.43) TRPM8CYP1A2CYP2C19KMT2AMEN1
SCHEMBL803198 0.81 TRPM8 (0.43) TRPM8ALDH1A1HSD11B1KDM4E

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 TRPM8 180/4885LMNA 1463/4885TP53 4295/4885

“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.