SCHEMBL23906171

SCHEMBL23906171

CN(C(=O)OC(C)(C)C)[C@]1(C)C[C@@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ASGR1 P07306 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL24204261 0.84 CHRM2 (0.37) ASGR1CHRM2CHRM1CHRM3
SCHEMBL25075599 0.83 HDAC6 (0.33) ASGR1NFKB1NFKB2RELABRD4
SCHEMBL30891964 0.79 ASGR1 (0.32) ASGR1
SCHEMBL14829034 0.78 ASGR1 (0.31) ASGR1BRD4CREBBP
SCHEMBL17586285 0.76 MAPK1 (0.36) ASGR1MEN1MAPK1KMT2ANFKB1
SCHEMBL6119041 0.75 KDM4E (0.31) ASGR1KMT2ANFKB1NFKB2RELA
SCHEMBL24204205 0.74 MT-CO2 (0.35) ASGR1MAPK1NFKB1NFKB2RELA
SCHEMBL140072 0.73 MAPK1 (0.44) MEN1MAPK1KMT2A
SCHEMBL14829037 0.72 CTSD (0.32)
SCHEMBL31020426 0.72 ASGR1 (0.39) ASGR1CHRM2CHRM1CHRM3

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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 ASGR1 1367/4885CHRM2 3267/4885CHRM1 1147/4885

“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.