SCHEMBL23905407

SCHEMBL23905407

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
GRM2 Q14416 6/20 0.33
GRM3 Q14832 1/20 0.33
KCNH2 Q12809 3/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 2/20 0.30
TRPV1 Q8NER1 1/20 0.30
PTGS2 P35354 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
SCHEMBL31412435 1.00 CFTR (0.33) CFTRGRM2GRM3KCNH2CYP3A4
SCHEMBL23905581 1.00 CFTR (0.33) CFTRGRM2GRM3KCNH2CYP3A4
SCHEMBL23904871 0.93 CFTR (0.33) CFTRKCNH2CYP3A4TRPV1PTGS2
SCHEMBL23905374 0.90 CFTR (0.33) CFTRGRM2GRM3KCNH2CYP3A4
SCHEMBL23905533 0.90 CFTR (0.33) CFTRGRM2GRM3KCNH2CYP3A4
SCHEMBL24984837 0.89 CFTR (0.33) CFTRGRM2KCNH2CYP3A4TRPV1
SCHEMBL23196089 0.89 CFTR (0.33) CFTRGRM2KCNH2CYP3A4TRPV1
SCHEMBL24988016 0.89 CFTR (0.33) CFTRKCNH2CYP3A4TRPV1
SCHEMBL31412378 0.89 CFTR (0.33) CFTRKCNH2CYP3A4TRPV1
SCHEMBL24984667 0.88 TRPV1 (0.35) TRPV1

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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 US disclosed
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 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 (3 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-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CFTR 283/4885GRM2 4163/4885GRM3 2358/4885
US-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 CFTR 283/4885GRM2 4163/4885GRM3 2358/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CFTR 283/4885GRM2 4163/4885GRM3 2358/4885

“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.