SCHEMBL25545381

SCHEMBL25545381

CC(C)(C)NC1(CC(=O)O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25543897 0.84
SCHEMBL15461462 0.73 CYP2C19 (0.38) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL12335956 0.73 RIPK1 (0.35) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL428722 0.73 P2RX7 (0.38) CYP2C19
SCHEMBL23895993 0.72 CYP2C19 (0.40) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL1825623 0.72 CYP2C19 (0.45) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL25543758 0.71
SCHEMBL15798070 0.71 CYP2C19 (0.48) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL12335251 0.71 CYP2C19 (0.32) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL8260653 0.70 MME (0.32)

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 CYP2C19 3029/4885CYP1A2 677/4885USP2 2459/4885

“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.