SCHEMBL5520255

SCHEMBL5520255

N#Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.41
EPHX2 P34913 6/20 0.39
SCD O00767 1/20 0.38
CNR1 P21554 3/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
CNR2 P34972 1/20 0.37
MGLL Q99685 2/20 0.36
BTK Q06187 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2J2 P51589 1/20 0.35
ERBB2 P04626 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL14523422 0.86 GPR119 (0.50) TBK1MCHR1CACNB4CACNA1ACACNA1G
SCHEMBL14523426 0.82 PIK3CD (0.49) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14523423 0.82 PIK3CD (0.49) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14545592 0.76 CNR1 (0.43) EPHX2CNR1CACNB4CACNA1ACACNA1G
SCHEMBL14545457 0.76 NAMPT (0.39) TBK1SCDKCNH2MCHR1
SCHEMBL5520536 0.75 CNR1 (0.60) TBK1CNR1CNR2CYP2C9ERBB2
SCHEMBL14545644 0.75 MAPK10 (0.44) EPHX2SCDCYP2C9
SCHEMBL14545607 0.73 HRH3 (0.44) KCNH2ERBB2
SCHEMBL14545380 0.72 CNR1 (0.45) CNR1ERBB2
SCHEMBL1256120 0.71 EPHX2 (0.60) EPHX2CNR1KCNH2MCHR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 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 (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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 TBK1 2147/4885EPHX2 1878/4885SCD 307/4885

“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.