SCHEMBL5033368

SCHEMBL5033368

COCC1CCCN1c1cc(C)nc2cc(OCc3cccnc3F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
ADORA2A P29274 6/20 0.38
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
ADORA1 P30542 3/20 0.36
GALR3 O60755 1/20 0.36
ATM Q13315 1/20 0.36
MAP4K1 Q92918 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
FFAR1 O14842 2/20 0.35
PDE10A Q9Y233 1/20 0.35
IDH1 O75874 2/20 0.35

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
SCHEMBL5033363 1.00 RAB9A (0.38) RAB9AADORA2AROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL5042795 0.99 RAB9A (0.38) RAB9AADORA2AROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL5042800 0.99 RAB9A (0.38) RAB9AADORA2AROCK2ROCK1CDC42BPB
SCHEMBL5036321 0.91 SPHK2 (0.39) FFAR1
SCHEMBL5036317 0.91 SPHK2 (0.39) FFAR1
SCHEMBL5040739 0.90 RAB9A (0.38) RAB9AADORA2AROCK2ROCK1CDC42BPB
SCHEMBL5040736 0.90 RAB9A (0.38) RAB9AADORA2AROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL6370389 0.89 RAB9A (0.38) RAB9AADORA2AROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL6370382 0.89 RAB9A (0.38) RAB9AADORA2AROCK2ROCK1CDC42BPB
SCHEMBL5037522 0.84 KCNH2 (0.42) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US claimed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R RAB9A 760/4885ADORA2A 2125/4885ROCK2 1914/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R RAB9A 760/4885ADORA2A 2125/4885ROCK2 1914/4885

“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.