SCHEMBL21139636

SCHEMBL21139636

CC(C)c1ncc(C2CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
DHODH Q02127 4/20 0.43
TMEM97 Q5BJF2 2/20 0.43
ADRB3 P13945 1/20 0.43
ADRA1D P25100 1/20 0.43
SLC6A4 P31645 1/20 0.43
ABAT P80404 1/20 0.43
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33

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
SCHEMBL31064639 0.88 S1PR1 (0.41) S1PR1S1PR3DHODHTMEM97ADRB3
SCHEMBL31064451 0.85 S1PR1 (0.42) S1PR1S1PR3DHODHTMEM97ADRB3
Hydrochloric Acid SCHEMBL31064255 0.84 S1PR1 (0.41) S1PR1S1PR3DHODHTMEM97ADRB3
Hydrochloric Acid SCHEMBL31064700 0.80 S1PR1 (0.39) S1PR1S1PR3DHODHTMEM97ADRB3
SCHEMBL31064441 0.80 S1PR1 (0.39) S1PR1S1PR3DHODHTMEM97ADRB3
SCHEMBL25928002 0.79 KDM4E (0.37) S1PR1S1PR3DHODHTMEM97ADRB3
SCHEMBL21446938 0.78 S1PR3 (0.38) S1PR1S1PR3DHODHKDM4ETLR9
SCHEMBL21446933 0.77 ADRB3 (0.39) S1PR1S1PR3DHODHTMEM97ADRB3
SCHEMBL14225108 0.76 S1PR1 (0.33) S1PR1S1PR3RXRAGRIN1GRIN2B
SCHEMBL17156238 0.76 KDM4E (0.40) S1PR1S1PR3DHODHTMEM97ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
EP-3630775-B1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX INC (US) 2022-12-14 EP disclosed
US-11384079-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2022-07-12 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-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2020-11-05 US disclosed
US-10562896-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2020-02-18 US disclosed
WO-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 WO 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 (9 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-20200347049-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 S1PR1 255/4885S1PR3 276/4885DHODH 2867/4885
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 S1PR1 173/4885S1PR3 243/4885DHODH 2076/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 S1PR1 168/4885S1PR3 191/4885DHODH 2326/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 S1PR1 173/4885S1PR3 243/4885DHODH 2076/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 S1PR1 255/4885S1PR3 276/4885DHODH 2867/4885
US-11384079-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 S1PR1 255/4885S1PR3 276/4885DHODH 2867/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 S1PR1 168/4885S1PR3 191/4885DHODH 2326/4885
US-10562896-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 S1PR1 255/4885S1PR3 276/4885DHODH 2867/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 S1PR1 173/4885S1PR3 243/4885DHODH 2076/4885

“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.