SCHEMBL803203

SCHEMBL803203

COC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)c1cccc(F)c1Cl)CC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
PYGL P06737 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.35
PIN1 Q13526 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR2 O43614 1/20 0.34
MAPK14 Q16539 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL803262 0.89 TRPM8 (0.40) MGLLSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL785540 0.89 TRPM8 (0.40) MGLLSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL803734 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL803210 0.88 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL803729 0.86 RORC (0.39) SLC6A2SLC6A4SLC6A3ACHEMAPK14
SCHEMBL13131593 0.86 HPGD (0.46) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL803190 0.86 HPGD (0.46) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL803727 0.84 HPGD (0.40) SLC6A2SLC6A4SLC6A3PYGLALDH1A1
SCHEMBL803553 0.84 TRPM8 (0.39) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL803576 0.83 LMNA (0.40) KMT2AMAPTMEN1ALDH1A1TRPM8

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 MGLL 3161/4885SLC6A2 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.