SCHEMBL4759441

SCHEMBL4759441

O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.84
AKR1C3 P42330 1/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 1/20 0.48
NAMPT P43490 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1712902 0.92 BDKRB1 (1.00) BDKRB1TSHRMAPK1USP2ALDH1A1
SCHEMBL5629162 0.92 BDKRB1 (0.78) BDKRB1AKR1C3TSHRLMNAMAPK1
SCHEMBL4716223 0.88 BDKRB1 (0.67) BDKRB1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4711496 0.87 BDKRB1 (0.65) BDKRB1TSHRLMNAMAPTNAMPT
SCHEMBL4716862 0.84 BDKRB1 (0.64) BDKRB1TSHRLMNAMAPK1USP2
SCHEMBL4760693 0.83 BDKRB1 (0.66) BDKRB1TSHRLMNAMAPK1USP2
SCHEMBL4716176 0.83 BDKRB1 (0.66) BDKRB1NAMPTALDH1A1CYP2C9HTT
SCHEMBL4716396 0.82 BDKRB1 (0.61) BDKRB1MEN1KMT2APOLB
SCHEMBL4716645 0.81 BDKRB1 (0.63) BDKRB1LMNAMAPTNAMPTCYP1A2
SCHEMBL4714974 0.81 BDKRB1 (0.63) BDKRB1LMNAMAPTALDH1A1CYP3A4

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 1/4885AKR1C3 307/4885TSHR 1458/4885

“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.