SCHEMBL5033273

SCHEMBL5033273

Cc1cc(Cl)c2ccc(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
CYP3A4 P08684 1/20 0.49
MAOA P21397 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOS3 P29474 4/20 0.45
NOS1 P29475 4/20 0.45
ACHE P22303 2/20 0.45
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
FFAR1 O14842 1/20 0.42
GRM5 P41594 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
SCHEMBL5522979 0.94 NOS3 (0.50) MAOBCYP3A4MAOAMAPTTSHR
SCHEMBL6871648 0.93 NOS3 (0.49) MAOBCYP3A4MAOAMAPTTSHR
SCHEMBL6871642 0.92 NOS3 (0.48) MAOBCYP3A4MAOAMAPTTSHR
SCHEMBL5033332 0.86 MAOB (0.52) MAOBCYP3A4MAOAMAPTTSHR
SCHEMBL5519147 0.84 MAOB (0.50) MAOBMAOAMAPTNOS3NOS1
SCHEMBL5033238 0.84 MAPT (0.54) MAOBCYP3A4MAOAMAPTNOS3
SCHEMBL5513403 0.81 MAPT (0.45) MAOBCYP3A4MAPTTSHRRECQL
SCHEMBL5036075 0.80 MAOB (0.47) MAOBCYP3A4MAOAMAPTTSHR
SCHEMBL5035944 0.79 HRH3 (0.48) MAOBCYP3A4MAOAMAPTTSHR
SCHEMBL5037525 0.79 HRH3 (0.48) MAOBCYP3A4MAOAMAPTTSHR

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
CN-100376557-C Quinoline derivatives as ligands for neuropeptide Y receptors HOFFMANN LA ROCHE (CH) 2008-03-26 CN disclosed
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
CN-1522249-A Quinoline derivatives as ligands for neuropeptide Y receptors 2004-08-18 CN disclosed
EP-1395564-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 EP disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002094789-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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 (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 MAOB 1279/4885CYP3A4 3415/4885MAOA 1633/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885CYP3A4 3415/4885MAOA 1633/4885

“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.