SCHEMBL5079416

SCHEMBL5079416

COCC1CCCN1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 4/20 0.42
DPP8 Q6V1X1 4/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
ARG1 P05089 2/20 0.40
ARG2 P78540 2/20 0.40
CNR2 P34972 1/20 0.38
ADORA2A P29274 4/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
DPP9 Q86TI2 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2849479 1.00 POLB (0.43) POLBL3MBTL1DPP4DPP8HDAC8
SCHEMBL2843566 1.00 POLB (0.43) POLBL3MBTL1DPP4DPP8HDAC8
SCHEMBL29412367 0.89 PDK1 (0.35) POLBDPP4DPP8HDAC8HDAC6
SCHEMBL27319486 0.89 PDK1 (0.35) POLBDPP4DPP8HDAC8HDAC6
SCHEMBL4023639 0.85 POLB (0.46) POLBL3MBTL1DPP4DPP8HDAC8
SCHEMBL30639674 0.84 POLB (0.42) POLBL3MBTL1HDAC8HDAC6HDAC1
SCHEMBL11967766 0.84 POLB (0.44) POLBL3MBTL1DPP4DPP8HDAC8
SCHEMBL12409378 0.84 POLB (0.44) POLBL3MBTL1DPP4DPP8HDAC8
SCHEMBL3178302 0.84 POLB (0.44) POLBL3MBTL1DPP4DPP8HDAC8
SCHEMBL3182268 0.84 POLB (0.44) POLBL3MBTL1DPP4DPP8HDAC8

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 12 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
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO 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
US-20220298107-A1 SUBSTITUTED UREA DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-09-22 US disclosed
CN-114286813-A Substituted urea dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-04-05 CN disclosed
US-9518056-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-13 US disclosed
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 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 (4 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 POLB 1346/4885L3MBTL1 3610/4885DPP4 1865/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 POLB 800/4885L3MBTL1 3645/4885DPP4 2022/4885
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments PIR, SYMPK, P2RX5 POLB 3099/4885L3MBTL1 4663/4885DPP4 38/4885
US-20220298107-A1 SUBSTITUTED UREA DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DPYD, UGDH POLB 734/4885L3MBTL1 1906/4885DPP4 2302/4885

“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.