SCHEMBL24348262

SCHEMBL24348262

CCN(C[C@@H]1CCCOC1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PARP1 P09874 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
NSD2 O96028 1/20 0.30
BRD4 O60885 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
SCHEMBL24349413 0.80 ALOX5 (0.41) ALOX5PSEN1PSEN2APH1BNCSTN
SCHEMBL27276861 0.73
SCHEMBL11967773 0.72 PSEN1 (0.34) ALOX5PSEN1PSEN2APH1BNCSTN
SCHEMBL3651504 0.71 ALOX5 (0.34) ALOX5PSEN1PSEN2APH1BNCSTN
SCHEMBL14689835 0.71 ALOX5 (0.34) ALOX5PSEN1PSEN2APH1BNCSTN
SCHEMBL27871633 0.71 ALDH1A1 (0.35) ALOX5ALDH1A1
SCHEMBL19724651 0.71 PDE8B (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14689816 0.71 ALOX5 (0.34) ALOX5PSEN1PSEN2APH1BNCSTN
SCHEMBL22519829 0.71 PSEN1 (0.32) ALOX5PSEN1PSEN2APH1BNCSTN
SCHEMBL16518374 0.70 SIGMAR1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A

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-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-04-21 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-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ALOX5 1951/4885PSEN1 2738/4885PSEN2 3165/4885

“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.