SCHEMBL29889243

SCHEMBL29889243

CC(C)CC1CCCN(C(N)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
LIPE Q05469 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 3/20 0.36
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSK P43235 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL24449787 0.90 DPP4 (0.40) ALDH1A1MEN1POLBKMT2ADPP4
SCHEMBL13509602 0.85 PIK3CD (0.41) ALDH1A1LMNALIPEMEN1POLB
SCHEMBL15730427 0.83 CHRNB2 (0.40) ALDH1A1LMNALIPEMAPK1MEN1
SCHEMBL18327482 0.83 CHRNB2 (0.40) ALDH1A1LMNALIPEMAPK1MEN1
SCHEMBL19229743 0.82 MEN1 (0.45) ALDH1A1LMNALIPEMEN1POLB
SCHEMBL14813701 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1MEN1POLB
SCHEMBL13748096 0.80 DPP8 (0.38) ALDH1A1LMNALIPEMEN1POLB
SCHEMBL19229740 0.80 JAK3 (0.42) ALDH1A1LMNADPP4
SCHEMBL19229737 0.80 JAK3 (0.42) ALDH1A1LMNADPP4
SCHEMBL19229736 0.80 JAK3 (0.42) ALDH1A1LMNADPP4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 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 (2 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ALDH1A1 1065/4885LMNA 3142/4885LIPE 4593/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ALDH1A1 617/4885LMNA 2856/4885LIPE 4706/4885

“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.