SCHEMBL25545642

SCHEMBL25545642

Cc1nc(-c2c(C3CCOCC3)nc(OC3CC(C(=O)O)C3)c3cc(O)ccc23)ccc1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.32
FFAR1 O14842 2/20 0.31
CYP2C8 P10632 1/20 0.31
LPAR1 Q92633 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
SCHEMBL23896381 1.00 PDE10A (0.32) PDE10AFFAR1CYP2C8LPAR1
SCHEMBL25544024 0.87 FFAR1 (0.35) PDE10AFFAR1CYP2C8
SCHEMBL25549205 0.87 FFAR1 (0.35) PDE10AFFAR1CYP2C8
SCHEMBL23896105 0.86 PDE10A (0.33) PDE10AFFAR1
SCHEMBL23896327 0.84 ESR1 (0.37) PDE10A
SCHEMBL23896329 0.84 ESR1 (0.37) PDE10A
SCHEMBL25545515 0.84 ESR1 (0.37) PDE10A
SCHEMBL23896151 0.84 MAPK1 (0.33) PDE10AFFAR1
SCHEMBL25545637 0.84 MAPK1 (0.33) PDE10AFFAR1
SCHEMBL23896380 0.83 PDE10A (0.37) PDE10A

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 PDE10A 3701/4885FFAR1 4592/4885CYP2C8 875/4885

“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.