SCHEMBL4714974

SCHEMBL4714974

O=C(c1cccc(N2Cc3cccc(Cl)c3C2=O)c1)N1CCc2c(cccc2-c2ccncc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.63
P2RX7 Q99572 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 2/20 0.36
FFAR1 O14842 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GAA P10253 3/20 0.36
ABHD6 Q9BV23 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36

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 0.81 BDKRB1 (0.84) BDKRB1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL4760693 0.80 BDKRB1 (0.66) BDKRB1HPGDALDH1A1SMN1; SMN2EGFR
SCHEMBL5629162 0.77 BDKRB1 (0.78) BDKRB1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1712902 0.77 BDKRB1 (1.00) BDKRB1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4716176 0.77 BDKRB1 (0.66) BDKRB1CYP2C9ALDH1A1EGFRMEN1
SCHEMBL4716223 0.75 BDKRB1 (0.67) BDKRB1HPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL4716862 0.75 BDKRB1 (0.64) BDKRB1HPGDALDH1A1SMN1; SMN2EGFR
SCHEMBL4716645 0.75 BDKRB1 (0.63) BDKRB1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4711496 0.74 BDKRB1 (0.65) BDKRB1HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL4716396 0.73 BDKRB1 (0.61) BDKRB1EGFRNR1H4MEN1KMT2A

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 1/4885P2RX7 906/4885CDK4 2354/4885

“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.