SCHEMBL5033332

SCHEMBL5033332

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.52
CYP3A4 P08684 1/20 0.49
RAB9A P51151 1/20 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
ACHE P22303 2/20 0.45
MAOA P21397 4/20 0.44
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMPD1 P17405 1/20 0.43
FFAR1 O14842 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
SCHEMBL5033273 0.86 MAOB (0.52) MAOBCYP3A4RAB9AMAPTTSHR
SCHEMBL5042843 0.84 CYP3A4 (0.51) MAOBCYP3A4RAB9AMAPTNPSR1
SCHEMBL27586305 0.82 MAOB (0.46) MAOBCYP3A4RAB9AMAPTTSHR
SCHEMBL5036075 0.80 MAOB (0.47) MAOBCYP3A4RAB9AMAPTTSHR
SCHEMBL5522979 0.80 NOS3 (0.50) MAOBCYP3A4MAPTTSHRRECQL
SCHEMBL5037525 0.79 HRH3 (0.48) MAOBCYP3A4MAPTTSHRRECQL
SCHEMBL5035944 0.79 HRH3 (0.48) MAOBCYP3A4MAPTTSHRRECQL
SCHEMBL27603998 0.79 MAOB (0.44) MAOBCYP3A4RAB9AMAPTTSHR
SCHEMBL27586225 0.79 MAOB (0.44) MAOBCYP3A4RAB9AMAPTTSHR
SCHEMBL6871648 0.79 NOS3 (0.49) MAOBCYP3A4MAPTTSHRRECQL

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
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
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 MAOB 1279/4885CYP3A4 3415/4885RAB9A 760/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885CYP3A4 3415/4885RAB9A 760/4885

“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.