SCHEMBL25544820

SCHEMBL25544820

COC(=O)CCCc1nc2cc(C)ccc2c(-c2ccc(F)c(C)c2)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.37
DPP4 P27487 2/20 0.34
CTSA P10619 1/20 0.34
BCL2 P10415 3/20 0.33
MCL1 Q07820 3/20 0.33
GRM2 Q14416 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
FFAR1 O14842 1/20 0.33
SRC P12931 1/20 0.32
CASP3 P42574 1/20 0.32
EGFR P00533 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
SCHEMBL23887874 0.92 TRPV3 (0.36) TRPV3BCL2MCL1CCNCCDK8
SCHEMBL23887828 0.85 FFAR1 (0.41) FFAR1
SCHEMBL30367270 0.81 FFAR1 (0.39) TRPV3DPP4FFAR1
SCHEMBL23887735 0.81 FFAR1 (0.39) TRPV3DPP4FFAR1
SCHEMBL25544802 0.80 GCGR (0.37) DPP4GRM2CCNCCDK8CASP3
SCHEMBL23887747 0.80 GRM2 (0.39) DPP4GRM2CASP3
SCHEMBL30121076 0.75 BRD4 (0.40)
SCHEMBL23887715 0.75 BRD4 (0.40)
SCHEMBL23895835 0.74 TRPV3 (0.36) TRPV3FFAR1
SCHEMBL25544329 0.74 GRM2 (0.36) TRPV3GRM2SRC

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 TRPV3 4856/4885DPP4 3051/4885CTSA 249/4885

“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.