SCHEMBL23896302

SCHEMBL23896302

Oc1ccc2c(-c3ccc(F)cc3)c(C3CCOCC3)nc(OC3CC(O)C3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.38
ESR1 P03372 5/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
PRKAA2 P54646 1/20 0.32
ESR2 Q92731 1/20 0.31
PIK3CD O00329 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
SCHEMBL23896070 0.90 PDE10A (0.36) PDE10AESR1PRKAA2
SCHEMBL25545556 0.90 PDE10A (0.36) PDE10AESR1PRKAA2
SCHEMBL23896329 0.89 ESR1 (0.37) PDE10AESR1PRKAA2
SCHEMBL25545515 0.89 ESR1 (0.37) PDE10AESR1PRKAA2
SCHEMBL23896327 0.89 ESR1 (0.37) PDE10AESR1PRKAA2
SCHEMBL23896069 0.86 ESR1 (0.34) PDE10AESR1PRKAA2
SCHEMBL25549283 0.85 ESR1 (0.36) ESR1PIK3CAMTORPRKAA2ESR2
SCHEMBL23896368 0.83 LRRK2 (0.36) PDE10APIK3CAPIK3CD
SCHEMBL23896386 0.83 LRRK2 (0.36) PDE10APIK3CAPIK3CD
SCHEMBL25545676 0.83 LRRK2 (0.36) PDE10APIK3CAPIK3CD

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 PDE10A 3701/4885ESR1 4556/4885PIK3CA 4114/4885

“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.