SCHEMBL23896281

SCHEMBL23896281

CCOC(=O)COc1nc(C(C)C)c(-c2ccc(F)cc2)c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.39
ALDH2 P05091 1/20 0.38
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL25544473 0.91 KDM4E (0.40) GCGRCXCR1CXCR2SQORKDM4E
SCHEMBL23895992 0.88 GCGR (0.42) GCGRMAPTPOLBMEN1KMT2A
SCHEMBL23887839 0.86 MAOB (0.44) KDM4EMAPTMEN1HPGDHTT
SCHEMBL23896049 0.80 GCGR (0.45) GCGR
SCHEMBL23896095 0.79 GCGR (0.40) GCGRALDH2
SCHEMBL23896283 0.79 GCGR (0.40) GCGRALDH2
SCHEMBL23896286 0.79 GCGR (0.40) GCGRALDH2
SCHEMBL23887753 0.78 FFAR1 (0.36) GCGR
SCHEMBL25543968 0.78 GAA (0.33) GCGRKDM4EMAPTPKMMEN1
SCHEMBL23896293 0.77 GCGR (0.44) GCGR

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 3 patents. 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
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
WO-2021203028-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 (US) 2021-10-07 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-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 4357/4885ALDH2 1669/4885CXCR1 1074/4885

“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.