SCHEMBL5628644

SCHEMBL5628644

CC(C)(C)OC(=O)N1CCC(CCOc2cncc(-c3cccc(N4Cc5cccc(Cl)c5C4=O)c3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CHEK2 O96017 1/20 0.39
BDKRB1 P46663 1/20 0.39
KDM1A O60341 1/20 0.38
FAAH O00519 1/20 0.38
USP30 Q70CQ3 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4716630 0.90 HTR2A (0.41) HTR2AHTR2CHTR2BBDKRB1FAAH
SCHEMBL4715875 0.88 NPBWR1 (0.42) GPR119BDKRB1KDM1AUSP30RXFP1
SCHEMBL5632155 0.84 BDKRB1 (0.48) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4716498 0.84 AKT1 (0.41) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4712314 0.77 BDKRB1 (0.49) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4714752 0.76 HTR2A (0.40) HTR2AHTR2CHTR2BBDKRB1KDM1A
SCHEMBL4791583 0.75 GPR119 (0.46) GPR119HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4711961 0.72 HTR6 (0.44) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL5630710 0.71 BDKRB1 (0.48) HTR2AHTR2CHTR2BBDKRB1
SCHEMBL4717297 0.71 PARP1 (0.40) HTR2AHTR2CHTR2BBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 GPR119 165/4885HTR2A 742/4885HTR2C 1740/4885

“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.