SCHEMBL5629162

SCHEMBL5629162

O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCC(C2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.78
CYP2C9 P11712 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 2/20 0.41
AKR1C3 P42330 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 2/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 2/20 0.39
MEN1 O00255 1/20 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
SCHEMBL4759441 0.92 BDKRB1 (0.84) BDKRB1CYP2C9TSHRALDH1A1CYP1A2
SCHEMBL5630506 0.88 BDKRB1 (0.61) BDKRB1TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL1712902 0.88 BDKRB1 (1.00) BDKRB1CYP2C9TSHRALDH1A1CYP1A2
SCHEMBL5630639 0.87 BDKRB1 (0.61) BDKRB1L3MBTL3HTR2AHTR2CHTR2B
SCHEMBL4714835 0.86 BDKRB1 (0.60) BDKRB1L3MBTL3L3MBTL1HTR2AHTR2C
SCHEMBL4716176 0.85 BDKRB1 (0.66) BDKRB1CYP2C9ALDH1A1NAMPTMEN1
SCHEMBL5628754 0.84 BDKRB1 (0.57) BDKRB1HTR2AHTR2CHTR2B
SCHEMBL4716645 0.83 BDKRB1 (0.63) BDKRB1CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL4716223 0.81 BDKRB1 (0.67) BDKRB1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4715214 0.80 BDKRB1 (0.62) BDKRB1

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
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

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 1/4885CYP2C9 3256/4885TSHR 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.