SCHEMBL9256919

SCHEMBL9256919

CC(C)NCC1CCN(C(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.35
DPP4 P27487 2/20 0.33
PIK3CD O00329 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL18067761 0.83 ACE (0.33) ACEDPP4PIK3CDMAPT
SCHEMBL18067759 0.83 ACE (0.33) ACEDPP4PIK3CDMAPT
SCHEMBL2602295 0.78 DPP4 (0.36) ACEDPP4PIK3CDMAPTTSHR
SCHEMBL30428415 0.77 BACE1 (0.35) ACEDPP4PIK3CDMAPT
SCHEMBL9252361 0.77 PIK3CD (0.38) ACEDPP4PIK3CDMAPTTSHR
SCHEMBL18067765 0.76 ACE (0.41) ACEDPP4
SCHEMBL18067763 0.76 ACE (0.41) ACEDPP4
SCHEMBL9252755 0.75 PIK3CD (0.37) ACEDPP4PIK3CDMAPT
SCHEMBL18067762 0.75 PIK3CD (0.37) ACEDPP4PIK3CDMAPT
SCHEMBL18067760 0.75 PIK3CD (0.37) ACEDPP4PIK3CDMAPT

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP ACE 307/4885DPP4 1078/4885PIK3CD 1714/4885

“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.