SCHEMBL803201

SCHEMBL803201

CCN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CCc2ccc(C(=O)OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ADORA2A P29274 1/20 0.40
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
HPGD P15428 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PYGL P06737 3/20 0.36
HSD11B1 P28845 1/20 0.35
PDK2 Q15119 2/20 0.35
PDE10A Q9Y233 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
SCHEMBL803218 0.93 TSHR (0.39) SLC6A2SLC6A4SLC6A3ADORA2AMDM4
SCHEMBL786012 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ADORA2AMDM4
SCHEMBL784944 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ADORA2AMDM4
SCHEMBL803727 0.88 HPGD (0.40) SLC6A2SLC6A4SLC6A3MDM4MDM2
SCHEMBL803508 0.87 WDR5 (0.41) SLC6A2SLC6A4SLC6A3HPGDTRPM8
SCHEMBL803198 0.85 TRPM8 (0.43) SLC6A2SLC6A4SLC6A3MDM4MDM2
SCHEMBL803734 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP1A2TSHR
SCHEMBL883738 0.84 TSHR (0.40) SLC6A2SLC6A4SLC6A3CYP1A2TSHR
SCHEMBL803509 0.82 RORC (0.39) SLC6A2SLC6A4SLC6A3CYP1A2TSHR
SCHEMBL784506 0.82 TRPM8 (0.41) SLC6A2SLC6A4SLC6A3ADORA2ATRPM8

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 4 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
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 SLC6A2 1966/4885SLC6A4 1682/4885SLC6A3 1597/4885

“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.