SCHEMBL5800968

SCHEMBL5800968

COc1ccc2cc(S(=O)(=O)NC(CC(=O)NC3N=C(c4ccccc4)c4ccccc4N(C)C3=O)c3ccc4c(c3)OCO4)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.52
CHRM2 P08172 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2C P18825 1/20 0.51
S1PR1 P21453 1/20 0.51
FPR1 P21462 1/20 0.51
C5AR1 P21730 1/20 0.51
GPR183 P32249 1/20 0.51
APLNR P35414 1/20 0.51
OPRK1 P41145 1/20 0.51
GLP1R P43220 1/20 0.51
CX3CR1 P49238 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ADGRF1 Q5T601 1/20 0.51
GPR65 Q8IYL9 1/20 0.51
GPR119 Q8TDV5 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
GPR35 Q9HC97 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CCKAR P32238 2/20 0.46

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
SCHEMBL6045265 0.88 CHRM2 (0.48) CCKBRCHRM2CHRM5ADRA2CS1PR1
SCHEMBL5803385 0.77 KMT2A (0.58) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5802575 0.77 KMT2A (0.58) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL6045001 0.76 CHRM2 (0.56) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL6044991 0.76 CHRM2 (0.56) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL9865026 0.73 CCKBR (0.81) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL9865017 0.73 CCKBR (0.81) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL9865406 0.73 CCKBR (0.81) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL4992501 0.70 PSEN1 (0.73) CCKBRCCKARKCNH2PSEN1PSEN2
SCHEMBL4989178 0.70 PSEN1 (0.73) CCKBRCCKARKCNH2PSEN1PSEN2

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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US claimed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 WO claimed
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US disclosed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CCKBR 37/4885CHRM2 543/4885CHRM5 1743/4885

“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.