SCHEMBL2242233

SCHEMBL2242233

CC(C)(C)N(CCc1ccc(C2=NCCN2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.57
HTR1D P28221 1/20 0.49
ADRA1A P35348 1/20 0.49
BDKRB1 P46663 3/20 0.45
PPARG P37231 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
SCHEMBL2238032 0.88 NISCH (0.56) NISCHHTR1DADRA1ABDKRB1PPARG
SCHEMBL3260321 0.83 NISCH (0.61) NISCHHTR1DADRA1ABDKRB1PPARG
SCHEMBL1936403 0.83 NISCH (0.55) NISCHHTR1DADRA1ABDKRB1PPARG
SCHEMBL2237206 0.81 NISCH (0.35) NISCHBDKRB1
SCHEMBL2237521 0.79 AOC3 (0.40) NISCH
SCHEMBL1936400 0.77 NISCH (0.53) NISCHHTR1DADRA1ABDKRB1
SCHEMBL1936162 0.76 NISCH (0.60) NISCHHTR1DADRA1ABDKRB1
SCHEMBL19921435 0.75 CYP2C9 (0.49)
SCHEMBL1936399 0.75 NISCH (0.53) NISCHHTR1DADRA1APPARG
SCHEMBL11557262 0.74 NISCH (0.55) NISCHHTR1DADRA1APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 317/4885HTR1D 242/4885ADRA1A 43/4885

“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.