SCHEMBL23958853

SCHEMBL23958853

CC(C)[C@@](O)(CN)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
CNR2 P34972 4/20 0.33
TRPV1 Q8NER1 2/20 0.33
CYP17A1 P05093 2/20 0.33
CYP3A4 P08684 2/20 0.33
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
TGFBR1 P36897 2/20 0.32
CNR1 P21554 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 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
SCHEMBL23958768 1.00 CFTR (0.38) CFTRCNR2TRPV1CYP17A1CYP3A4
SCHEMBL25686518 1.00 CFTR (0.38) CFTRCNR2TRPV1CYP17A1CYP3A4
SCHEMBL30007122 1.00 CFTR (0.38) CFTRCNR2TRPV1CYP17A1CYP3A4
SCHEMBL23930208 0.91 CFTR (0.35) CFTRCNR2TRPV1FPR2SCN9A
SCHEMBL25689065 0.85 CFTR (0.36) CFTRCNR2TRPV1CYP17A1CYP3A4
SCHEMBL25230841 0.83 CFTR (0.35) CFTRCNR2TRPV1CNR1L3MBTL1
SCHEMBL23930046 0.82 CFTR (0.38) CFTRCNR2CYP3A4CNR1L3MBTL1
SCHEMBL23958625 0.82 CFTR (0.39) CFTRCNR2CYP3A4CNR1L3MBTL1
SCHEMBL30007072 0.82 CFTR (0.38) CFTRCNR2CYP3A4CNR1L3MBTL1
SCHEMBL25285421 0.82 CFTR (0.38) CFTRCNR2CYP3A4CNR1L3MBTL1

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 646/4885TRPV1 3973/4885

“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.