SCHEMBL29889256

SCHEMBL29889256

COCC1CCN(C(N)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
PDE4B Q07343 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
POLB P06746 1/20 0.38
RBP4 P02753 1/20 0.36

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
SCHEMBL22685850 0.86 CHRNB2 (0.33) RAB9AKMT2ANPC1MEN1GAA
SCHEMBL29889227 0.84 AKR1C3 (0.42) RAB9AKMT2AMEN1GAAPDE4B
SCHEMBL2773399 0.83 RAB9A (0.40) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL15390149 0.83 RAB9A (0.40) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL19265714 0.83 RAB9A (0.40) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL12522315 0.83 RAB9A (0.40) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL26355345 0.81 BRD4 (0.43) RAB9AKMT2ANPC1MEN1PDE4B
SCHEMBL14290008 0.81 DPP8 (0.48) GAA
SCHEMBL18179964 0.81 DPP8 (0.48) GAA
SCHEMBL13245864 0.80 CHRNB2 (0.42) RAB9AKMT2ANPC1MEN1POLB

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 RAB9A 3169/4885KMT2A 2269/4885NPC1 1078/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 RAB9A 3458/4885KMT2A 3289/4885NPC1 1208/4885

“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.