SCHEMBL5026832

SCHEMBL5026832

COCC1CCCN1c1cc(C)nc2cc(I)ccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.41
ADORA1 P30542 8/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 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
NCF1 P14598 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
SCHEMBL5026828 1.00 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5026872 1.00 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL27616502 0.89 ADORA2A (0.40) ADORA2AADORA1CTNNB1TCF7L2NCF1
Hydrochloric Acid SCHEMBL5024369 0.88 ADORA2A (0.39) ADORA2AADORA1CTNNB1TCF7L2NCF1
Hydrochloric Acid SCHEMBL5024371 0.88 ADORA2A (0.39) ADORA2AADORA1CTNNB1TCF7L2NCF1
Hydrochloric Acid SCHEMBL5024548 0.87 NCF1 (0.33) ADORA2AADORA1CTNNB1TCF7L2NCF1
Hydrochloric Acid SCHEMBL5024551 0.87 NCF1 (0.33) ADORA2AADORA1CTNNB1TCF7L2NCF1
SCHEMBL5037356 0.87 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5037350 0.87 ADORA2A (0.41) ADORA2AADORA1ROCK2ROCK1CDC42BPB
SCHEMBL5091471 0.87 ADORA2A (0.46) ADORA2AADORA1ROCK2ROCK1CDC42BPB

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 5 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 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
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (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.