SCHEMBL23896335

SCHEMBL23896335

CC(C)c1nc(OCCC(=O)O)c2c(F)c(O)ccc2c1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.38
ESR1 P03372 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
DPP4 P27487 1/20 0.33
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL25548631 0.83 GCGR (0.35) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL25265198 0.82 GCGR (0.38) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL30121089 0.82 GCGR (0.38) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL23887748 0.82 GCGR (0.38) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL23896331 0.82 GCGR (0.38) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL25545403 0.82 GCGR (0.34) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL25545423 0.79 GCGR (0.43) GCGR
SCHEMBL23896334 0.79 GCGR (0.35) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL23896336 0.78 THRA (0.38) GCGR
SCHEMBL23896299 0.78 GCGR (0.34) GCGRESR1HMGCRCHRM1TBXA2R

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 GCGR 4357/4885ESR1 4556/4885HMGCR 1352/4885

“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.