SCHEMBL25544111

SCHEMBL25544111

Cc1cc(-c2c(C3CCCC3)nc(OCC(=O)O)c3cc(O)ccc23)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.38
PTGDR Q13258 4/20 0.38
KCNQ3 O43525 6/20 0.38
KCNQ2 O43526 6/20 0.38
GRM5 P41594 1/20 0.37
SLC9A1 P19634 2/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
FFAR1 O14842 2/20 0.34
PTGER2 P43116 1/20 0.34
PPARD Q03181 1/20 0.33

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
SCHEMBL30121100 0.92 GRIN2B (0.36) KCNQ3KCNQ2SLC9A1FFAR1
SCHEMBL23888027 0.92 GRIN2B (0.36) KCNQ3KCNQ2SLC9A1FFAR1
SCHEMBL23895796 0.89 GRIN2B (0.34) KCNQ3KCNQ2FFAR1
SCHEMBL23895798 0.86 SLC9A1 (0.35) KCNQ3KCNQ2GRM5SLC9A1SLC9A2
SCHEMBL23895791 0.86 PTGDR2 (0.45) PTGDR2PTGDRFFAR1PPARD
SCHEMBL30121049 0.85 PPARD (0.37) THRATHRBFFAR1PTGER2PPARD
SCHEMBL23887694 0.85 PPARD (0.37) THRATHRBFFAR1PTGER2PPARD
SCHEMBL23896086 0.83 FFAR1 (0.38) GRM5FFAR1PTGER2PPARD
SCHEMBL23887753 0.81 FFAR1 (0.36) THRATHRBFFAR1PTGER2PPARD
SCHEMBL23896089 0.79 GRM5 (0.34) GRM5SLC9A1SLC9A2PTGER2

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-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

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 PTGDR2 2867/4885PTGDR 2647/4885KCNQ3 1489/4885

“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.