SCHEMBL10121207

SCHEMBL10121207

NCc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.52
TTR P02766 4/20 0.50
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPT P10636 1/20 0.47
HSPA5 P11021 1/20 0.47
HPGD P15428 1/20 0.47
CBR1 P16152 1/20 0.47
TBXA2R P21731 1/20 0.47
AGTR1 P30556 1/20 0.47
CSNK2A1 P68400 6/20 0.46
ROCK2 O75116 1/20 0.43
AKT1 P31749 1/20 0.43
ROCK1 Q13464 1/20 0.43
RPS6KA1 Q15418 1/20 0.43

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
SCHEMBL757869 0.92 SLC6A2 (0.49) MRGPRX4TTRSLC6A2SLC6A3CSNK2A1
SCHEMBL765563 0.88 SLC6A2 (0.47) MRGPRX4SLC6A2SLC6A3CSNK2A1ROCK2
SCHEMBL12238998 0.83 ROCK2 (0.51) MRGPRX4MAPTHPGDCSNK2A1ROCK2
SCHEMBL765629 0.79 ST14 (0.50) MRGPRX4SLC6A2SLC6A3MAPTHPGD
SCHEMBL12239005 0.79 FFAR1 (0.60) MRGPRX4TTRSLC6A2SLC6A3NR1I2
SCHEMBL12239000 0.77 ROCK2 (0.52) CSNK2A1ROCK2ROCK1SLC6A4KCNH2
SCHEMBL7186092 0.75 TTR (0.75) TTRSLC6A2SLC6A3NR1I2LMNA
SCHEMBL14662168 0.74 ROCK2 (0.55) ROCK2AKT1ROCK1RPS6KA1SLC6A4
SCHEMBL23380132 0.74 L3MBTL1 (0.44) MRGPRX4SLC6A2SLC6A3CSNK2A1SLC6A4
SCHEMBL4369522 0.73 CSNK2A1 (0.51) CSNK2A1ROCK2ROCK1SLC6A4FFAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB MRGPRX4 34/4885TTR 3260/4885SLC6A2 1647/4885

“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.