SCHEMBL25545391

SCHEMBL25545391

CC(C)(C)NC1CC2(C1)CC(C(=O)O)C2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
APLNR P35414 1/20 0.43
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36
BTK Q06187 1/20 0.33
PTGER4 P35408 1/20 0.30
POLB P06746 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
SCHEMBL25543746 0.85 CYP2C19 (0.37) CYP2C19
SCHEMBL25624760 0.81
SCHEMBL25474795 0.77 LMNA (0.41) CYP2C19APLNRCYP1A2ALOX15LMNA
SCHEMBL18159707 0.77 LMNA (0.41) CYP2C19APLNRCYP1A2ALOX15LMNA
Hydrochloric Acid SCHEMBL25364694 0.76 CYP2C19 (0.62) CYP2C19APLNRKDM4EALDH1A1CYP1A2
SCHEMBL1414757 0.76 CYP2C19 (1.00) CYP2C19APLNRKDM4EALDH1A1CYP1A2
SCHEMBL13592641 0.75 LMNA (0.40) CYP2C19APLNRALDH1A1CYP1A2ALOX15
SCHEMBL18315517 0.74 KDM1A (0.31) LMNA
SCHEMBL14645491 0.74 BTK (0.59) CYP2C19APLNRBTK
SCHEMBL12403945 0.74 LMNA (0.47) APLNRALDH1A1LMNABTKPOLB

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 3029/4885APLNR 3434/4885KDM4E 4440/4885

“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.