SCHEMBL25549205

SCHEMBL25549205

Cc1cc(-c2c(C3CCOCC3)nc(O[C@H]3C[C@H](C(=O)O)C3)c3cc(O)ccc23)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.35
PDE10A Q9Y233 6/20 0.32
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
GRIN2B Q13224 1/20 0.31
CYP2C8 P10632 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MME P08473 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 1/20 0.30
ADAM17 P78536 1/20 0.30
SGK1 O00141 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL25544024 1.00 FFAR1 (0.35) FFAR1PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL23896105 0.93 PDE10A (0.33) FFAR1PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL25545637 0.90 MAPK1 (0.33) FFAR1PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL23896151 0.90 MAPK1 (0.33) FFAR1PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL23896329 0.89 ESR1 (0.37) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23896327 0.89 ESR1 (0.37) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25545515 0.89 ESR1 (0.37) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23896381 0.87 PDE10A (0.32) FFAR1PDE10ACYP2C8
SCHEMBL25545642 0.87 PDE10A (0.32) FFAR1PDE10ACYP2C8
SCHEMBL25545621 0.87 PDE10A (0.33) PDE10APRKAB2PRKAG1PRKAA2PRKAA1

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 1 patent. 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

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 FFAR1 4592/4885PDE10A 3701/4885PRKAB2 1974/4885

“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.