SCHEMBL23905187

SCHEMBL23905187

Cc1c(O[C@H](c2ccc(C(N)=O)cc2)c2cccc(C#N)c2)c(F)cc2c1OCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
VNN1 O95497 2/20 0.35
TNF P01375 1/20 0.34
ADRA1D P25100 4/20 0.33
ADRA1A P35348 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA1B P35368 1/20 0.32
APLNR P35414 1/20 0.32
KLKB1 P03952 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
SCHEMBL30251115 1.00 GRM5 (0.36) GRM5VNN1TNFADRA1DADRA1A
SCHEMBL30251077 1.00 GRM5 (0.36) GRM5VNN1TNFADRA1DADRA1A
SCHEMBL30250991 1.00 GRM5 (0.36) GRM5VNN1TNFADRA1DADRA1A
SCHEMBL23882893 1.00 GRM5 (0.36) GRM5VNN1TNFADRA1DADRA1A
SCHEMBL26159468 1.00 GRM5 (0.36) GRM5VNN1TNFADRA1DADRA1A
SCHEMBL30251513 0.88 MAOB (0.32)
SCHEMBL23882663 0.88 MAOB (0.32)
SCHEMBL23905970 0.87 GRM5 (0.39) GRM5VNN1TNFADRA1DADRA1A
SCHEMBL23882869 0.87 GRM5 (0.39) GRM5VNN1TNFADRA1DADRA1A
SCHEMBL30251017 0.87 GRM5 (0.39) GRM5VNN1TNFADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 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 (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-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C GRM5 2303/4885VNN1 2710/4885TNF 1090/4885

“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.