SCHEMBL4714710

SCHEMBL4714710

CC(c1cncc(-c2cccc(-c3nc4c(Cl)cccc4[nH]3)c2)c1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.36
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DGAT1 O75907 4/20 0.35
AURKA O14965 2/20 0.34
DYRK1A Q13627 4/20 0.34
CLK2 P49760 3/20 0.34
CLK3 P49761 3/20 0.34
GSK3B P49841 1/20 0.34
ROCK2 O75116 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
RHEB Q15382 1/20 0.33
SLC2A1 P11166 1/20 0.33
WNT1 P04628 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL4714758 0.81 PARP1 (0.49) AURKASLC2A1WNT1TGFBR1
SCHEMBL4712505 0.77 SLC2A1 (0.53) CNR1CNR2AURKASLC2A1
SCHEMBL5628622 0.77 SLC2A1 (0.51) AURKASLC2A1
SCHEMBL4713139 0.74 DRD4 (0.54) AURKAADORA3ADORA1SLC2A1
SCHEMBL4714133 0.73 GNRHR (0.40) AURKASLC2A1
SCHEMBL4711380 0.72 LMNA (0.47) AURKASLC2A1
SCHEMBL4713370 0.71 SSTR5 (0.40) SSTR5MGAMGAASIMGAM2
SCHEMBL4713546 0.71 SLC2A1 (0.44) AURKASLC2A1WNT1TGFBR1
SCHEMBL4716340 0.71 SLC2A1 (0.41) SLC2A1
SCHEMBL4716061 0.71 AKR1C3 (0.43)

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 SSTR5 2640/4885MGAM 4641/4885GAA 3511/4885

“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.