SCHEMBL22011076

SCHEMBL22011076

CSc1ccc(CN2CCOC[C@@H]2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
GRM2 Q14416 3/20 0.40
PDE1B Q01064 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CNR2 P34972 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38

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
SCHEMBL12214 0.83 LTA4H (0.57) LTA4HGRM2PDE1BKDM4EALDH1A1
SCHEMBL14960477 0.83 LTA4H (0.57) LTA4HGRM2PDE1BKDM4EALDH1A1
SCHEMBL30508309 0.82 LTA4H (0.56) LTA4HGRM2PDE1BSMN1; SMN2KDM4E
SCHEMBL8805178 0.82 LTA4H (0.56) LTA4HGRM2PDE1BKDM4EALDH1A1
SCHEMBL30308375 0.82 LTA4H (0.56) LTA4HGRM2PDE1BKDM4EALDH1A1
SCHEMBL30460552 0.82 LTA4H (0.56) LTA4HGRM2PDE1BKDM4EALDH1A1
SCHEMBL1005882 0.81 LTA4H (0.62) LTA4HCNR2PIK3CDPIK3R2PIK3CA
SCHEMBL1005883 0.81 LTA4H (0.62) LTA4HCNR2PIK3CDPIK3R2PIK3CA
SCHEMBL1189298 0.81 LTA4H (0.62) LTA4HCNR2PIK3CDPIK3R2PIK3CA
SCHEMBL3509984 0.79 SMN1; SMN2 (0.59) LTA4HPDE1BSMN1; SMN2MEN1KMT2A

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-10660897-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2020-05-26 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-10660897-B2 C5aR antagonists C5AR1, C5AR2, C3AR1 LTA4H 104/4885GRM2 1925/4885PDE1B 3050/4885

“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.