SCHEMBL4711929

SCHEMBL4711929

O=C(NCCC1CCN(c2ccncc2)CC1)c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BDKRB1 P46663 6/20 0.47
SCD O00767 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
FLT3 P36888 1/20 0.46
COMT P21964 1/20 0.46
MMP13 P45452 1/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4714173 0.88 BDKRB1 (0.51) BDKRB1SCDF10
SCHEMBL4790805 0.85 VCP (0.54) BDKRB1
SCHEMBL4713068 0.81 BDKRB1 (0.47) KDM4ERAB9ASMN1; SMN2BDKRB1MEN1
SCHEMBL4714037 0.81 CETP (0.48) KDM4ESMN1; SMN2BDKRB1POLBMAPT
SCHEMBL4714139 0.81 BDKRB1 (0.47) BDKRB1MEN1KMT2AF10
SCHEMBL4716488 0.79 CD274 (0.50) BDKRB1F10
SCHEMBL18426870 0.79 KDM4E (0.70) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL14587844 0.79 HRH3 (0.50) ALDH1A1HPGDSMN1; SMN2BDKRB1MAPT
SCHEMBL4714624 0.78 BDKRB1 (0.51) BDKRB1F10
SCHEMBL4717520 0.77 BDKRB1 (0.51) BDKRB1SCDF10

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 KDM4E 4606/4885NPC1 562/4885RAB9A 1733/4885

“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.