SCHEMBL23958790

SCHEMBL23958790

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
HTR2C P28335 1/20 0.32
SLC34A1 Q06495 1/20 0.32
CNR2 P34972 5/20 0.32
HPGDS O60760 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TGFBR1 P36897 1/20 0.32
CNR1 P21554 2/20 0.31
TNIK Q9UKE5 1/20 0.31
NR3C1 P04150 1/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL25686955 1.00 CFTR (0.34) CFTRHTR2CSLC34A1CNR2HPGDS
SCHEMBL23958632 1.00 CFTR (0.34) CFTRHTR2CSLC34A1CNR2HPGDS
SCHEMBL25686991 0.91 PRKACA (0.33) CNR1
SCHEMBL30007237 0.91 CFTR (0.33) CFTRHTR2CSLC34A1CNR2HPGDS
SCHEMBL23958854 0.91 PRKACA (0.33) CNR1
SCHEMBL23958975 0.90 DGAT1 (0.34) CYP11B1CYP11B2
SCHEMBL23958767 0.90 DGAT1 (0.34) CYP11B1CYP11B2
SCHEMBL23958735 0.90 TRPV1 (0.33) CFTRDPP4
SCHEMBL23958657 0.90 TRPV1 (0.33) CFTRDPP4
SCHEMBL26727263 0.90 CFTR (0.33) CFTRSLC34A1CNR2HPGDSCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
WO-2023211997-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-11-02 WO disclosed
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 (2 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 508/4885HTR2C 1060/4885SLC34A1 2493/4885
US-20230365525-A1 ANTIVIRAL COMPOUNDS ACE, ZC3HAV1, SARS1 CFTR 126/4885HTR2C 3628/4885SLC34A1 606/4885

“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.