SCHEMBL4717490

SCHEMBL4717490

O=C(NCCc1ccc(CN2CCCCC2)cc1)c1cccc(N2Cc3cccc(Cl)c3C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MCHR1 Q99705 7/20 0.52
PARP1 P09874 2/20 0.52
HTR2A P28223 2/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BDKRB1 P46663 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL4714259 0.76 BDKRB1 (0.60) NPC1PARP1KMT2AMEN1L3MBTL1
SCHEMBL4715885 0.74 CXCR4 (0.46) NPC1RAB9ABDKRB1
SCHEMBL4712656 0.73 BDKRB1 (0.59) PARP1HTR2AHTR2CHTR2BKMT2A
SCHEMBL4716148 0.73 BDKRB1 (0.57) PARP1HTR2ACYP2D6HTR2CHTR2B
SCHEMBL4715214 0.73 BDKRB1 (0.62) BDKRB1
SCHEMBL6250405 0.73 MCHR1 (0.73) MCHR1HTR2ACYP2D6CHRM1SMN1; SMN2
SCHEMBL4715714 0.72 BDKRB1 (0.57) PARP1HTR2AHTR2CHTR2BKMT2A
SCHEMBL4714131 0.72 CCR2 (0.47) BDKRB1
SCHEMBL4713821 0.71 ALDH1A1 (0.56) NPC1RAB9APARP1HTR2AHTR2C
SCHEMBL4716862 0.71 BDKRB1 (0.64) PARP1HTR2AHTR2CHTR2BKMT2A

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 NPC1 562/4885RAB9A 1733/4885MCHR1 221/4885

“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.