SCHEMBL21139129

SCHEMBL21139129

CC(C)Cc1c(C(F)(F)F)ccc(Cl)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.33
KLKB1 P03952 1/20 0.33
P2RX7 Q99572 1/20 0.33
IDO1 P14902 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PYCR1 P32322 1/20 0.31
LMNA P02545 1/20 0.31
AR P10275 1/20 0.31
S1PR1 P21453 2/20 0.30
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL16939404 0.81 PNMT (0.34) SLC6A2
SCHEMBL16939403 0.81 P2RX7 (0.41) P2RX7IDO1SLC6A2SLC6A4AKR1C3
SCHEMBL13990809 0.80 LMNA (0.36) PDE2AKLKB1IDO1AKR1C3AKR1C2
SCHEMBL23434803 0.78 KDM4E (0.35) SLC6A2LMNA
SCHEMBL19443758 0.77 P2RX7 (0.45) P2RX7SLC6A2SLC6A4PYCR1
SCHEMBL21446974 0.77 IDO1 (0.39) KLKB1IDO1
SCHEMBL2922519 0.77 IDO1 (0.35) KLKB1IDO1
SCHEMBL20355248 0.74 P2RX7 (0.43) P2RX7IDO1SLC6A2SLC6A4LMNA
SCHEMBL12263328 0.73 P2RX7 (0.36) PDE2AP2RX7IDO1AKR1C3AKR1C2
SCHEMBL14227249 0.71 SLC6A2 (0.50) P2RX7SLC6A2SLC6A4

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-20220047592-A1 METHODS OF TREATING RESPIRATORY DISEASES USING C5a INHIBITORS CHEMOCENTRYX, INC. 2022-02-17 US disclosed
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2021-04-15 US disclosed
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2021-02-25 US disclosed
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 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 (6 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-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 PDE2A 1045/4885KLKB1 782/4885P2RX7 124/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 PDE2A 1246/4885KLKB1 1422/4885P2RX7 96/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 PDE2A 1045/4885KLKB1 782/4885P2RX7 124/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 PDE2A 1246/4885KLKB1 1422/4885P2RX7 96/4885
US-20220047592-A1 METHODS OF TREATING RESPIRATORY DISEASES USING C5a INHIBITORS C3AR1, C5, C5AR1 PDE2A 984/4885KLKB1 279/4885P2RX7 620/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 PDE2A 1045/4885KLKB1 782/4885P2RX7 124/4885

“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.