SCHEMBL23958839

SCHEMBL23958839

C=C(c1cc(C(C)(C)O)c(Cl)c(-c2ccc(F)cc2)n1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.39
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC34A1 Q06495 3/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30
MAPK14 Q16539 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
FAAH O00519 1/20 0.30
KCNH2 Q12809 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
SCHEMBL23958693 0.87 CFTR (0.40) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23958680 0.87 CFTR (0.35) CFTRCNR2CNR1SMN1; SMN2SLC34A1
SCHEMBL30007930 0.87 CFTR (0.35) CFTRCNR2CNR1SMN1; SMN2SLC34A1
SCHEMBL23958838 0.86 CFTR (0.36) CFTRSMN1; SMN2
SCHEMBL30006751 0.84 CYP11B1 (0.34) CFTRCNR2CNR1SLC34A1ADORA2A
SCHEMBL23958746 0.84 CYP11B1 (0.34) CFTRCNR2CNR1SLC34A1ADORA2A
SCHEMBL23958600 0.82 CFTR (0.36) CFTRSMN1; SMN2MAPK14
SCHEMBL23930153 0.80 ADORA2A (0.40) CFTRCNR2CNR1SMN1; SMN2SLC34A1
SCHEMBL30007319 0.80 ADORA2A (0.40) CFTRCNR2CNR1SMN1; SMN2SLC34A1
SCHEMBL28909155 0.77 CFTR (0.33) CFTRCNR2CNR1SLC34A1CYP11B1

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 508/4885CNR2 646/4885CNR1 183/4885

“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.