SCHEMBL25544154

SCHEMBL25544154

Cc1cc(-c2c(C(C)C)c(N[C@H](C)C(=O)O)nc3cc(O)ccc23)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.37
MCL1 Q07820 3/20 0.35
BCL2 P10415 2/20 0.35
BCL2L1 Q07817 1/20 0.35
KCNQ3 O43525 3/20 0.34
KCNQ2 O43526 3/20 0.34
CYP2C9 P11712 3/20 0.34
TOP1 P11387 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL23895822 1.00 PDE10A (0.37) PDE10AMCL1BCL2BCL2L1KCNQ3
SCHEMBL28974972 1.00 PDE10A (0.37) PDE10AMCL1BCL2BCL2L1KCNQ3
SCHEMBL25558990 0.91 PDE10A (0.38) PDE10AMCL1BCL2BCL2L1KCNQ3
SCHEMBL23896035 0.91 PDE10A (0.38) PDE10AMCL1BCL2BCL2L1KCNQ3
SCHEMBL23896036 0.91 PDE10A (0.38) PDE10AMCL1BCL2BCL2L1KCNQ3
SCHEMBL23895820 0.89 TRPV3 (0.35) PDE10AMCL1BCL2L1KCNQ3KCNQ2
SCHEMBL25544155 0.89 TRPV3 (0.35) PDE10AMCL1BCL2L1KCNQ3KCNQ2
SCHEMBL23896419 0.89 CTSA (0.35) KCNQ3KCNQ2TOP1
SCHEMBL23896415 0.89 CTSA (0.35) KCNQ3KCNQ2TOP1
SCHEMBL23896209 0.88 SCN9A (0.39) PDE10AMCL1BCL2BCL2L1CYP2C9

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 3701/4885MCL1 2407/4885BCL2 4065/4885

“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.