SCHEMBL25545221

SCHEMBL25545221

CC(=O)NC1CCC(OC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
ATM Q13315 1/20 0.40
DEGS1 O15121 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX1 P07099 2/20 0.36
EPHX2 P34913 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KDM1A O60341 1/20 0.33
SMYD3 Q9H7B4 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
SCHEMBL21452671 1.00 DPP4 (0.40) DPP4DPP8ATMDEGS1ALDH1A1
SCHEMBL25560105 0.85 DEGS1 (0.38) DEGS1ALDH1A1EPHX1EPHX2NPC1
SCHEMBL30741127 0.83 ATM (0.39) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL26843554 0.83 SMYD3 (0.38) ATMDEGS1EPHX1EPHX2MTNR1A
SCHEMBL20654039 0.82 ATM (0.46) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL24492447 0.79 TEAD1 (0.47) DEGS1EPHX1EPHX2NPC1RAB9A
SCHEMBL50350 0.78
SCHEMBL284318 0.78 ATM (0.56) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL284319 0.78 ATM (0.56) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL284342 0.78 ATM (0.56) DPP4DPP8ATMALDH1A1KDM4E

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 DPP4 3051/4885DPP8 881/4885ATM 2493/4885

“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.