SCHEMBL4712466

SCHEMBL4712466

O=C(c1ccccc1)N(CCC1CCN(c2ccncc2)CC1)c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
HRH3 Q9Y5N1 2/20 0.43
F10 P00742 1/20 0.39
HTR1A P08908 1/20 0.37
DRD4 P21917 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
SCHEMBL4717342 0.79 ACHE (0.50) ACHEF10HTR1ADRD4
SCHEMBL3440253 0.78 ACHE (0.63) ACHE
SCHEMBL14587844 0.72 HRH3 (0.50) HRH3F10
SCHEMBL4712468 0.70 HRH3 (0.51) HRH3
SCHEMBL785872 0.68 ACHE (0.46) ACHEHRH3F10
SCHEMBL12043784 0.67 ACHE (1.00) ACHE
SCHEMBL4714037 0.66 CETP (0.48) HRH3F10
SCHEMBL8121204 0.66 TPSAB1 (0.50) HRH3F10HTR1A
SCHEMBL5177805 0.66 MAPT (0.44) ACHEHRH3F10
SCHEMBL786054 0.65 ACHE (0.47) ACHE

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-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
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 ACHE 2716/4885HRH3 24/4885F10 1295/4885

“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.