SCHEMBL5116651

SCHEMBL5116651

COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(OC)cc(OC)c2)N1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.74
PDE5A O76074 5/20 0.72
KDM4E B2RXH2 4/20 0.68
TSHR P16473 2/20 0.68
HSD17B10 Q99714 2/20 0.68
HTT P42858 1/20 0.68
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 4/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C19 P33261 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALOX12 P18054 1/20 0.61
MAPK1 P28482 1/20 0.59
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
CYP1A2 P05177 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL17760639 0.93 PDE5A (0.71) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1922143 0.93 PDE5A (0.71) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1921747 0.91 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL12967653 0.91 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1922130 0.91 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL12967991 0.91 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL16489369 0.91 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL5183457 0.89 CCKBR (0.68) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1921528 0.89 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL13402875 0.89 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125452-A1 Indolopyridines,Benzofuranopyridines and Benzothienopyridines ALTANA PHARMA AG (DE) 2008-05-29 US disclosed
EP-1856117-A1 INDOLOPYRIDINES, BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES Nycomed GmbH (DE) 2007-11-21 EP disclosed
WO-2006079644-A1 INDOLOPYRIDINES, BENZOFURANOPYRIDINES AND BENZOTHIENOPYRIDINES NYCOMED GMBH (DE) 2006-08-03 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-20080125452-A1 Indolopyridines,Benzofuranopyridines and Benzothienopyridines BAX, AIFM1, API5 CCKBR 2283/4885PDE5A 2394/4885KDM4E 2850/4885

“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.