SCHEMBL21446933

SCHEMBL21446933

Cc1ncc(C2CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.39
ADRA1D P25100 1/20 0.39
SLC6A4 P31645 1/20 0.39
ABAT P80404 1/20 0.39
DHODH Q02127 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RXRA P19793 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ABL1 P00519 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
VRK1 Q99986 1/20 0.33
PSMB5 P28074 1/20 0.33
OPRL1 P41146 3/20 0.33
PIP4K2A P48426 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32

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
SCHEMBL12240425 0.79 KDM4E (0.40) KDM4ERXRAGRIN1GRIN2BPDGFRB
SCHEMBL17156238 0.79 KDM4E (0.40) ADRB3ADRA1DSLC6A4ABATDHODH
SCHEMBL12240466 0.78 KDM4E (0.39) KDM4ERXRAGRIN1GRIN2BPDGFRB
SCHEMBL23181529 0.78 KDM4E (0.39) KDM4ERXRAGRIN1GRIN2BPDGFRB
SCHEMBL21139636 0.77 S1PR1 (0.44) ADRB3ADRA1DSLC6A4ABATDHODH
SCHEMBL21367908 0.76 KDM4E (0.38) KDM4EPDGFRBPDGFRAPSMB5
SCHEMBL31703760 0.76 KDM4E (0.38) KDM4EPDGFRBPDGFRAPSMB5
SCHEMBL16139570 0.76 CHRNB2 (0.41) DHODHKDM4EPDGFRBPDGFRAS1PR1
SCHEMBL16908273 0.76 KDM4E (0.38) ADRB3ADRA1DSLC6A4ABATDHODH
SCHEMBL12292790 0.73 PSMB5 (0.41) KDM4EPDGFRBPDGFRAPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2021-02-25 US disclosed
WO-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 WO 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-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 ADRB3 862/4885ADRA1D 1011/4885SLC6A4 2693/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 ADRB3 761/4885ADRA1D 913/4885SLC6A4 2484/4885

“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.