SCHEMBL25697358

SCHEMBL25697358

COc1cc(C(=O)NC[C@](O)(c2cc(C(C)(C)O)c(I)c(-c3ccc(P)cc3)n2)C(C)C)cc2cc(C3CC3)nnc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL25687423 0.88 CFTR (0.36) CNR2ROCK2ROCK1ALDH1A1GAA
SCHEMBL30007120 0.88 CFTR (0.36) CNR2ROCK2ROCK1ALDH1A1GAA
SCHEMBL28909115 0.88 CFTR (0.36) CNR2ROCK2ROCK1ALDH1A1GAA
SCHEMBL25697454 0.83 ACSS2 (0.30)
SCHEMBL25282974 0.82 CFTR (0.34) CNR2ROCK2ROCK1
SCHEMBL30007492 0.82 CFTR (0.34) CNR2ROCK2ROCK1
SCHEMBL25687442 0.82 CFTR (0.34) CNR2ROCK2ROCK1
SCHEMBL25697165 0.81 IRAK4 (0.30)
SCHEMBL25697480 0.78
SCHEMBL23958761 0.77 CFTR (0.35) CNR2ROCK2ROCK1

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 CNR2 646/4885ROCK2 2645/4885ROCK1 1674/4885

“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.