SCHEMBL4142833

SCHEMBL4142833

O=C(NC[C@H]1[C@@H]2CNC[C@@H]21)[C@@](O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.44
DAPK3 O43293 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
ERBB2 P04626 1/20 0.44
PRKCG P05129 1/20 0.44
PIM1 P11309 1/20 0.44
PHKG2 P15735 1/20 0.44
CDK2 P24941 1/20 0.44
AXL P30530 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
PRKCI P41743 1/20 0.44
SYK P43405 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
RPS6KA3 P51812 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
SCHEMBL4142836 1.00 PLK4 (0.44) PLK4DAPK3RPS6KA5MAP4K4ERBB2
SCHEMBL4487733 0.92 CNR1 (0.49) CNR1CNR2SSTR4CHRM2CHRM1
SCHEMBL5106109 0.92 CNR1 (0.49) CNR1CNR2SSTR4CHRM2CHRM1
SCHEMBL4131229 0.87 ALDH1A1 (0.44) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4131231 0.87 ALDH1A1 (0.44) CNR1CNR2SSTR4HTTLMNA
SCHEMBL4149372 0.83 CACNA1G (0.46)
SCHEMBL5099416 0.83 CACNA1G (0.46)
SCHEMBL3227028 0.81 PLK4 (0.38) PLK4DAPK3RPS6KA5MAP4K4ERBB2
SCHEMBL4136635 0.80 SSTR4 (0.50) CNR1CNR2SSTR4CHRM2CHRM1
SCHEMBL4136638 0.80 SSTR4 (0.50) CNR1CNR2SSTR4CHRM2CHRM1

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-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 US claimed
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 US 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 (2 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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C PLK4 1491/4885DAPK3 1851/4885RPS6KA5 1685/4885
US-20070021487-A1 Azabicyclo derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 PLK4 4710/4885DAPK3 2648/4885RPS6KA5 2365/4885

“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.