SCHEMBL5519147

SCHEMBL5519147

Cc1cc(Cl)c2ccc(COc3ccc(C#N)c(C#N)c3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
NOS1 P29475 9/20 0.48
NOS3 P29474 8/20 0.48
NOS2 P35228 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.42
MAPT P10636 1/20 0.40
METTL3 Q86U44 1/20 0.40
GRM5 P41594 1/20 0.38

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
SCHEMBL5514957 0.87 NOS3 (0.44) NOS1NOS3
SCHEMBL5522979 0.87 NOS3 (0.50) MAOBMAOANOS1NOS3MAPT
SCHEMBL6871648 0.86 NOS3 (0.49) MAOBMAOANOS1NOS3MAPT
SCHEMBL6871642 0.85 NOS3 (0.48) MAOBMAOANOS1NOS3MAPT
SCHEMBL5033273 0.84 MAOB (0.52) MAOBMAOANOS1NOS3MAPT
SCHEMBL5521356 0.82 FFAR1 (0.47) NOS1NOS3MAPTGRM5
SCHEMBL5521135 0.81 NCF1 (0.45) MAOBMAOANOS1NOS3MAPT
SCHEMBL5522345 0.79 NCF1 (0.42) MAOBMAOANOS1NOS3MRGPRX4
SCHEMBL5033238 0.77 MAPT (0.54) MAOBMAOANOS1NOS3MAPT
SCHEMBL5518354 0.75 MRGPRX4 (0.49) NOS1NOS3MRGPRX4MAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
CN-1289087-C Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
CN-1607951-A Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2005-04-20 CN disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN MAOB 1587/4885MAOA 1960/4885NOS1 469/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R MAOB 1626/4885MAOA 1295/4885NOS1 597/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN MAOB 1587/4885MAOA 1960/4885NOS1 469/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R MAOB 1735/4885MAOA 1458/4885NOS1 713/4885

“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.