SCHEMBL5521135

SCHEMBL5521135

Cc1cc(N2CCCC2)c2ccc(COc3ccc(C#N)c(C#N)c3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
NOS3 P29474 4/20 0.41
NOS1 P29475 4/20 0.41
S1PR1 P21453 2/20 0.39
ALOX15 P16050 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL5514926 0.91 NCF1 (0.42) NCF1MAOBMAOANOS3NOS1
SCHEMBL5522345 0.91 NCF1 (0.42) NCF1MAOBMAOANOS3NOS1
SCHEMBL5522393 0.89 S1PR1 (0.45) NCF1NOS3NOS1S1PR1
SCHEMBL5521555 0.89 NCF1 (0.47) NCF1MAOBMAOANOS3NOS1
SCHEMBL5518149 0.88 NCF1 (0.49) NCF1MAOBMAOANOS3NOS1
SCHEMBL5521397 0.88 NCF1 (0.49) NCF1MAOBMAOANOS3NOS1
SCHEMBL5514006 0.87 MAPT (0.43) NCF1NOS3NOS1S1PR1MEN1
SCHEMBL5518640 0.87 NCF1 (0.44) NCF1NOS3NOS1ALOX15CASP1
SCHEMBL5036075 0.86 MAOB (0.47) NCF1MAOBMAOANOS3NOS1
SCHEMBL5519063 0.85 NCF1 (0.42) NCF1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1289087-C Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2006-12-13 CN claimed
CN-1607951-A Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2005-04-20 CN claimed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US claimed
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 claimed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP claimed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US claimed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO claimed
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 NCF1 1277/4885MAOB 1587/4885MAOA 1960/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885MAOB 1626/4885MAOA 1295/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885MAOB 1587/4885MAOA 1960/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885MAOB 1735/4885MAOA 1458/4885

“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.