SCHEMBL1819154

SCHEMBL1819154

Cc1ccnn1CCNC(=O)C(C)(F)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NAMPT P43490 2/20 0.38
CXCR2 P25025 2/20 0.35
DRD2 P14416 7/20 0.34
DRD3 P35462 7/20 0.34
LMNA P02545 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD11B1 P28845 1/20 0.33
CXCR1 P25024 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32

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
SCHEMBL1822906 0.95 MAPK1 (0.37) MAPK1NAMPTCXCR2DRD2DRD3
SCHEMBL13437620 0.75 DRD2 (0.45) MAPK1DRD2DRD3LMNADRD1
SCHEMBL1820473 0.73 SCN9A (0.43)
SCHEMBL3584598 0.72 CXCR2 (0.47) CXCR2HSD11B1CXCR1
SCHEMBL3582529 0.70 CXCR2 (0.45) MAPK1CXCR2ADORA1HSD11B1CXCR1
SCHEMBL3575188 0.70 CXCR2 (0.58) MAPK1CXCR2HSD11B1CXCR1
SCHEMBL3576230 0.69 CXCR2 (0.50) CXCR2DRD2DRD3HSD11B1CXCR1
SCHEMBL1819925 0.69 CXCR2 (0.48) CXCR2DRD2DRD3HSD11B1CXCR1
SCHEMBL3574727 0.69 CXCR2 (0.48) CXCR2DRD2DRD3HSD11B1CXCR1
SCHEMBL3582579 0.69 CXCR2 (0.48) CXCR2DRD2DRD3HSD11B1CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2012-12-13 US claimed
EP-2493846-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2012-09-05 EP claimed
WO-2011051375-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2011-05-05 WO claimed
EP-2316820-A1 2-aryl-propionamide derivatives useful as bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2011-05-04 EP claimed
US-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2012-12-13 US disclosed
EP-2493846-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2012-09-05 EP disclosed
WO-2011051375-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2011-05-05 WO disclosed
EP-2316820-A1 2-aryl-propionamide derivatives useful as bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2011-05-04 EP 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-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB2, BDKRB1, CNR2 MAPK1 494/4885NAMPT 1731/4885CXCR2 271/4885

“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.