SCHEMBL4717372

SCHEMBL4717372

CN1CCC(CN2CCN(C(=O)c3cccc(N4Cc5cccc(Cl)c5C4=O)c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.56
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
NAMPT P43490 1/20 0.39
EGFR P00533 2/20 0.39
NPY1R P25929 1/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADRB2 P07550 1/20 0.38
PARP1 P09874 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 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
SCHEMBL4713388 0.92 BDKRB1 (0.56) BDKRB1HTR2AHTR2CHTR2BNAMPT
SCHEMBL5630639 0.87 BDKRB1 (0.61) BDKRB1HTR2AHTR2CHTR2BCTSG
SCHEMBL4714598 0.86 BDKRB1 (0.58) BDKRB1HTR2AHTR2CHTR2BCCR3
SCHEMBL4713885 0.84 BDKRB1 (0.57) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4712656 0.83 BDKRB1 (0.59) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4714797 0.83 BDKRB1 (0.58) BDKRB1HTR2AHTR2CHTR2BEGFR
SCHEMBL4714259 0.82 BDKRB1 (0.60) BDKRB1ADRB2PARP1GAANPC1
SCHEMBL4715714 0.82 BDKRB1 (0.57) BDKRB1HTR2AHTR2CHTR2BKCNH2
SCHEMBL4716342 0.81 BDKRB1 (0.77) BDKRB1HTR2AHTR2CHTR2BCTSG
SCHEMBL4716396 0.80 BDKRB1 (0.61) 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 5 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
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 1/4885HTR2A 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.