SCHEMBL803729

SCHEMBL803729

COC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)c1c(F)cccc1Cl)CC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ACHE P22303 2/20 0.38
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL785853 0.89 RORC (0.40) RORCNPC1RAB9ASMN1; SMN2
SCHEMBL784810 0.89 RORC (0.40) RORCNPC1RAB9ASMN1; SMN2
SCHEMBL803509 0.88 RORC (0.39) RORCNPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL803203 0.86 MGLL (0.38) MAPK14SLC6A2SLC6A4SLC6A3ACHE
SCHEMBL13131593 0.84 HPGD (0.46) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL803190 0.84 HPGD (0.46) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL803727 0.82 HPGD (0.40) NPC1RAB9AMAPK14SLC6A2SLC6A4
SCHEMBL803553 0.82 TRPM8 (0.39) SMN1; SMN2MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL2818207 0.80 TAS1R3 (0.50) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL803178 0.80 TAS1R3 (0.50) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4

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 RORC 4667/4885NPC1 2033/4885RAB9A 1673/4885

“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.