SCHEMBL803553

SCHEMBL803553

COC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)c1cc(F)ccc1Cl)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PIN1 Q13526 1/20 0.39
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
ACHE P22303 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL803727 0.92 HPGD (0.40) TRPM8SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL803768 0.89 TRPM8 (0.43) TRPM8SLC6A2SLC6A4SLC6A3PIN1
SCHEMBL784876 0.89 TRPM8 (0.43) TRPM8SLC6A2SLC6A4SLC6A3PIN1
SCHEMBL803218 0.88 TSHR (0.39) TRPM8SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL803577 0.88 TRPM8 (0.43) TRPM8SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL803190 0.88 HPGD (0.46) TRPM8SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL13131593 0.88 HPGD (0.46) TRPM8SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL803203 0.84 MGLL (0.38) TRPM8SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL803729 0.82 RORC (0.39) SLC6A2SLC6A4SLC6A3ACHEMAPK14
SCHEMBL803201 0.81 SLC6A2 (0.41) TRPM8SLC6A2SLC6A4SLC6A3ALDH1A1

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 180/4885SLC6A2 1966/4885SLC6A4 1682/4885

“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.