SCHEMBL23958710

SCHEMBL23958710

COc1cc(C(=O)NC[C@](O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C2CC2)cc2cc(C)nnc12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.35
CNR1 P21554 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 2/20 0.32
PTGFR P43088 5/20 0.31
CNR2 P34972 3/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL30007333 1.00 CFTR (0.35) CFTRCNR1KDM4EALDH1A1HTT
SCHEMBL23958647 1.00 CFTR (0.35) CFTRCNR1KDM4EALDH1A1HTT
SCHEMBL23958644 0.94 CFTR (0.36) CFTRCNR1MAPTPTGFRCNR2
SCHEMBL30007924 0.94 CFTR (0.36) CFTRCNR1MAPTPTGFRCNR2
SCHEMBL23958706 0.94 CFTR (0.36) CFTRCNR1MAPTPTGFRCNR2
SCHEMBL25687411 0.94 CFTR (0.36) CFTRCNR1MAPTPTGFRCNR2
SCHEMBL30007186 0.93 CFTR (0.33) CFTRCNR1SCN9ACYP2C9MAPK14
SCHEMBL25687394 0.93 CFTR (0.33) CFTRCNR1SCN9ACYP2C9MAPK14
SCHEMBL23958749 0.93 CFTR (0.33) CFTRCNR1SCN9ACYP2C9MAPK14
SCHEMBL30007181 0.92 CFTR (0.34) CFTRCNR1MAPTCNR2ROCK2

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 2 patents. 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
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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 (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 CFTR 508/4885CNR1 183/4885KDM4E 3733/4885

“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.