SCHEMBL5514957

SCHEMBL5514957

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.44
NOS1 P29475 4/20 0.44
AR P10275 12/20 0.44
S1PR1 P21453 2/20 0.43
PLA2G7 Q13093 1/20 0.40

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
SCHEMBL5519147 0.87 MAOB (0.50) NOS3NOS1
SCHEMBL5522393 0.83 S1PR1 (0.45) NOS3NOS1ARS1PR1PLA2G7
SCHEMBL5522979 0.82 NOS3 (0.50) NOS3NOS1
SCHEMBL6871648 0.81 NOS3 (0.49) NOS3NOS1
SCHEMBL5518354 0.80 MRGPRX4 (0.49) NOS3NOS1
SCHEMBL5518097 0.80 IDH1 (0.45) NOS3NOS1AR
SCHEMBL6871642 0.80 NOS3 (0.48) NOS3NOS1
SCHEMBL5033273 0.79 MAOB (0.52) NOS3NOS1
SCHEMBL5520800 0.77 S1PR1 (0.45) ARS1PR1
SCHEMBL5520796 0.77 S1PR1 (0.45) ARS1PR1

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 NOS3 497/4885NOS1 469/4885AR 2943/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NOS3 513/4885NOS1 597/4885AR 1031/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NOS3 497/4885NOS1 469/4885AR 2943/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NOS3 434/4885NOS1 713/4885AR 1265/4885

“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.