SCHEMBL23958735

SCHEMBL23958735

CC(C)(O)c1cc([C@@](O)(CN)C2CC2)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.33
SLC2A1 P11166 1/20 0.33
KCNH2 Q12809 1/20 0.32
BRD4 O60885 1/20 0.32
MAPK14 Q16539 1/20 0.32
DPP4 P27487 1/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
PTPN1 P18031 2/20 0.31
DHODH Q02127 1/20 0.31
MCHR1 Q99705 1/20 0.31
SYK P43405 1/20 0.31
ACHE P22303 1/20 0.31
CFTR P13569 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNB3 Q05901 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
SCHEMBL23958657 1.00 TRPV1 (0.33) TRPV1SLC2A1KCNH2BRD4MAPK14
SCHEMBL25686955 0.90 CFTR (0.34) DPP4CFTR
SCHEMBL23958790 0.90 CFTR (0.34) DPP4CFTR
SCHEMBL23958632 0.90 CFTR (0.34) DPP4CFTR
SCHEMBL25686991 0.88 PRKACA (0.33) MAPK14ACHE
SCHEMBL23958854 0.88 PRKACA (0.33) MAPK14ACHE
SCHEMBL23958975 0.87 DGAT1 (0.34) DHODH
SCHEMBL23958767 0.87 DGAT1 (0.34) DHODH
SCHEMBL23958871 0.86 CSNK1E (0.31)
SCHEMBL23958704 0.86 CSNK1E (0.31)

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 TRPV1 3973/4885SLC2A1 3889/4885KCNH2 3238/4885

“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.