SCHEMBL5022604

SCHEMBL5022604

COCC1CCCN1c1cc(C)nc2cc(N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.46
ADORA1 P30542 8/20 0.46
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
NQO2 P16083 2/20 0.39
CRHR1 P34998 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
NMT1 P30419 2/20 0.37
SCN9A Q15858 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL5091471 1.00 ADORA2A (0.46) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5024441 0.89 ADORA2A (0.40) ADORA2AADORA1NQO2
Hydrochloric Acid SCHEMBL5028649 0.88 ADORA2A (0.39) ADORA2AADORA1NQO2
SCHEMBL5026872 0.87 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5026828 0.87 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5026832 0.87 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5037356 0.87 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5037350 0.87 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5084730 0.86 CCNE2 (0.42) ADORA2AADORA1NQO2ADORA3ADORA2B
SCHEMBL5025400 0.86 CCNE2 (0.42) ADORA2AADORA1NQO2ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP claimed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US claimed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US claimed
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R ADORA2A 4036/4885ADORA1 1826/4885ROCK2 3105/4885

“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.