SCHEMBL4715875

SCHEMBL4715875

CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3cccc(N4Cc5cccc(Cl)c5C4=O)c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
BDKRB1 P46663 1/20 0.40
KDM1A O60341 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
CYP11B2 P19099 3/20 0.39
USP30 Q70CQ3 1/20 0.39
HPGDS O60760 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
STS P08842 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL5628644 0.88 GPR119 (0.40) BDKRB1KDM1AGPR119USP30RXFP1
SCHEMBL4711961 0.82 HTR6 (0.44) BDKRB1
SCHEMBL2507273 0.79 KDM1A (0.51) KDM1AGPR119USP30HPGDSPRMT5
SCHEMBL4716630 0.78 HTR2A (0.41) BDKRB1PRMT5WDR77
SCHEMBL4791583 0.76 GPR119 (0.46) BDKRB1GPR119HPGDSRXFP1STS
SCHEMBL12041398 0.75 GPR119 (0.47) KDM1AGPR119USP30HPGDSPRMT5
SCHEMBL5628251 0.74 BDKRB1 (0.47) NPBWR1MCHR1BDKRB1KDM1AGPR119
SCHEMBL18484721 0.74 GPR119 (0.44) KDM1AGPR119CYP11B2
SCHEMBL4716176 0.73 BDKRB1 (0.66) BDKRB1
SCHEMBL20137483 0.73 GPR119 (0.52) NPBWR1MCHR1GPR119CYP11B2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 NPBWR1 3/4885MCHR1 221/4885BDKRB1 1/4885

“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.