SCHEMBL4716207

SCHEMBL4716207

CC(C)N1CCC(OC2CCN(C(=O)c3cccc(N4Cc5cccc(Cl)c5C4=O)c3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.55
HRH3 Q9Y5N1 8/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
EGFR P00533 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MGLL Q99685 2/20 0.39

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
SCHEMBL5628754 0.92 BDKRB1 (0.57) BDKRB1HRH3HTR2AHTR2CHTR2B
SCHEMBL4716396 0.89 BDKRB1 (0.61) BDKRB1HRH3HTR2AHTR2CHTR2B
SCHEMBL4714381 0.88 BDKRB1 (0.55) BDKRB1HTR2AHTR2CHTR2BPARP1
SCHEMBL4717586 0.88 BDKRB1 (0.56) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4712523 0.85 BDKRB1 (0.72) BDKRB1HRH3HTR2AHTR2CHTR2B
SCHEMBL4715507 0.83 BDKRB1 (0.57) BDKRB1HRH3HTR2AHTR2CHTR2B
SCHEMBL5630639 0.82 BDKRB1 (0.61) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4716176 0.81 BDKRB1 (0.66) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4714835 0.80 BDKRB1 (0.60) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4717373 0.79 BDKRB1 (0.53) BDKRB1HTR2AHTR2CHTR2BEGFR

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 6 patents. 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 claimed
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
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US 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 BDKRB1 1/4885HRH3 24/4885HTR2A 742/4885

“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.