SCHEMBL9903563

SCHEMBL9903563

Cc1cccc(CN(CC(N)=O)Cc2cccc(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 4/20 0.49
TAAR1 Q96RJ0 2/20 0.45
PARP1 P09874 1/20 0.44
ACHE P22303 1/20 0.44
MAPK8 P45983 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
IDO1 P14902 2/20 0.43
MEP1A Q16819 1/20 0.43
CTBP2 P56545 1/20 0.43
NR3C2 P08235 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL14432416 0.85 ACHE (0.52) TAAR1PARP1ACHEMAPK8HSP90AA1
SCHEMBL14325933 0.83 TAS2R14 (0.49) MEP1BHSP90AA1TAS2R14MEP1ACTBP2
SCHEMBL10232375 0.82 TAS2R14 (0.52) MEP1BTAS2R14MEP1ACTBP2ALDH1A1
SCHEMBL14013470 0.81 MEP1B (0.47) MEP1BMEP1A
SCHEMBL4210848 0.78 MEP1B (0.47) MEP1B
SCHEMBL23892162 0.78 MEP1B (0.85) MEP1BPARP1MEP1A
SCHEMBL13999453 0.78 MEP1B (0.43) MEP1BMEP1AALDH1A1
SCHEMBL13999507 0.78 MEP1B (0.43) MEP1BACHEMEP1A
SCHEMBL1985821 0.77 CTBP2 (0.57) TAAR1PARP1MAPK8IDO1CTBP2
SCHEMBL6906964 0.76 NPC1 (0.47) MEP1BALDH1A1

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
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC MEP1B 259/4885TAAR1 3741/4885PARP1 176/4885

“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.