SCHEMBL25548660

SCHEMBL25548660

CC(C)c1nc(O[C@H]2CC[C@@H](C(=O)O)C2)c2c(F)c(O)ccc2c1-c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.33
VCP P55072 2/20 0.33
SCN9A Q15858 1/20 0.32
ESR1 P03372 1/20 0.32
DGAT1 O75907 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
ACACB O00763 1/20 0.31
IDO1 P14902 1/20 0.30
HMGCR P04035 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
SCHEMBL25543946 1.00 GCGR (0.33) GCGRVCPSCN9AESR1DGAT1
SCHEMBL23896339 1.00 GCGR (0.33) GCGRVCPSCN9AESR1DGAT1
SCHEMBL25543947 1.00 GCGR (0.33) GCGRVCPSCN9AESR1DGAT1
SCHEMBL23896332 1.00 GCGR (0.33) GCGRVCPSCN9AESR1DGAT1
SCHEMBL23896299 0.94 GCGR (0.34) GCGRVCPSCN9AESR1ACACB
SCHEMBL23896300 0.94 GCGR (0.34) GCGRVCPSCN9AESR1ACACB
SCHEMBL25543935 0.94 GCGR (0.34) GCGRVCPSCN9AESR1ACACB
SCHEMBL23896301 0.83 GCGR (0.33) GCGRACACB
SCHEMBL23896333 0.83 GCGR (0.33) GCGRACACB
SCHEMBL25543941 0.83 GCGR (0.33) GCGRACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 GCGR 4357/4885VCP 2903/4885SCN9A 1048/4885

“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.