SCHEMBL26525874

SCHEMBL26525874

CC[C@@]1(C)COc2c1cc(C(C)(O)CN)nc2-c1ccc(F)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.31
CYP2C9 P11712 1/20 0.30
IDO1 P14902 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
SCHEMBL26525998 1.00 CFTR (0.31) CFTRCYP2C9IDO1
SCHEMBL26526294 0.92 CYP2C9 (0.31) CYP2C9IDO1
SCHEMBL26526003 0.91 CYP2C9 (0.32) CYP2C9IDO1
SCHEMBL24984659 0.86
SCHEMBL31412378 0.85 CFTR (0.33) CFTRCYP2C9IDO1
SCHEMBL24988016 0.85 CFTR (0.33) CFTRCYP2C9IDO1
SCHEMBL18031468 0.83
SCHEMBL18031469 0.83
SCHEMBL18031368 0.83
SCHEMBL23904863 0.81 CFTR (0.32) CFTRCYP2C9IDO1

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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 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 (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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CFTR 283/4885CYP2C9 429/4885IDO1 1041/4885

“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.