SCHEMBL20098331

SCHEMBL20098331

O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(C(F)(F)F)cc2N2CCC(F)CC2)o1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.44
CCKAR P32238 6/20 0.44
CBLB Q13191 8/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL21117358 1.00 CCKBR (0.44) CCKBRCCKARCBLBBCHEACHE
SCHEMBL20098156 0.94 CCKBR (0.45) CCKBRCCKARCBLB
Zelicapavir SCHEMBL31517188 0.94 CCKAR (0.44) CCKBRCCKARCBLB
Zelicapavir SCHEMBL21117236 0.94 CCKAR (0.44) CCKBRCCKARCBLB
Zelicapavir SCHEMBL31418683 0.94 CCKAR (0.44) CCKBRCCKARCBLB
Zelicapavir SCHEMBL20098063 0.94 CCKAR (0.44) CCKBRCCKARCBLB
Zelicapavir SCHEMBL20098421 0.94 CCKAR (0.44) CCKBRCCKARCBLB
SCHEMBL21117147 0.93 CCKBR (0.42) CCKBRCCKARCBLB
SCHEMBL20098113 0.93 CCKBR (0.42) CCKBRCCKARCBLB
SCHEMBL20098628 0.92 CCKBR (0.44) CCKBRCCKARCBLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10865215-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2020-07-16 US disclosed
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 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 (5 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-10865215-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CCKBR 509/4885CCKAR 989/4885CBLB 2850/4885
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN CCKBR 3869/4885CCKAR 4257/4885CBLB 4388/4885
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CCKBR 509/4885CCKAR 989/4885CBLB 2850/4885
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 CCKBR 509/4885CCKAR 989/4885CBLB 2850/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN CCKBR 3869/4885CCKAR 4257/4885CBLB 4388/4885

“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.