SCHEMBL25686708

SCHEMBL25686708

CC(C)(C)OC(=O)NC[C@@](O)(c1cc(C(C)(C)O)c(F)c(-c2ccc(F)c(F)c2)n1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.36
CFTR P13569 3/20 0.35
CYP17A1 P05093 1/20 0.35
GRM2 Q14416 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
LATS1 O95835 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL25686690 1.00 GABRA5 (0.36) GABRA5CFTRCYP17A1GRM2PDE3B
SCHEMBL30471272 1.00 GABRA5 (0.36) GABRA5CFTRCYP17A1GRM2PDE3B
SCHEMBL23958697 0.90 CFTR (0.44) CFTRGRM2PDE3BPDE3ACACNA1H
SCHEMBL25234179 0.90 GABRA5 (0.37) GABRA5CFTR
SCHEMBL25686536 0.82 CFTR (0.42) CFTRGRM2TRPV1CACNA1HCACNA1B
SCHEMBL23958715 0.81 CACNA1H (0.39) GRM2TRPV1CACNA1HCACNA1BCACNA1C
SCHEMBL25276606 0.81 MPL (0.32) CFTR
SCHEMBL25686698 0.81 MPL (0.32) CFTR
SCHEMBL25686694 0.81 MPL (0.32) CFTR
SCHEMBL23958956 0.80 CFTR (0.41) CFTRGRM2PDE3BPDE3ACACNA1H

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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE GABRA5 3534/4885CFTR 508/4885CYP17A1 1113/4885

“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.