SCHEMBL23896089

SCHEMBL23896089

Cc1cc(-c2c(N3CCC(Br)C3)nc(OCC(=O)O)c3cc(O)ccc23)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.34
GRIN2B Q13224 7/20 0.34
AKT1 P31749 2/20 0.33
RPS6KB1 P23443 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SLC9A1 P19634 2/20 0.32
SLC9A2 Q9UBY0 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL23896087 0.86 GRIN2B (0.42) GRM5GRIN2B
SCHEMBL23887694 0.81 PPARD (0.37) GRIN2BPTGER2
SCHEMBL30121049 0.81 PPARD (0.37) GRIN2BPTGER2
SCHEMBL25544111 0.79 PTGDR2 (0.38) GRM5SLC9A1SLC9A2PTGER2
SCHEMBL23888027 0.77 GRIN2B (0.36) GRIN2BSLC9A1
SCHEMBL30121100 0.77 GRIN2B (0.36) GRIN2BSLC9A1
SCHEMBL23887753 0.77 FFAR1 (0.36) GRIN2BPTGER2
SCHEMBL23896086 0.77 FFAR1 (0.38) GRM5GRIN2BPTGER2
SCHEMBL23895796 0.76 GRIN2B (0.34) GRIN2B
SCHEMBL23895984 0.75 TRPV3 (0.35) GRM5GRIN2BPTGER2

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 GRM5 4601/4885GRIN2B 4413/4885AKT1 3806/4885

“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.