SCHEMBL5519979

SCHEMBL5519979

NCc1ccc2c(Cl)ccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.52
LOX P28300 3/20 0.52
LOXL3 P58215 1/20 0.52
ROCK1 Q13464 1/20 0.49
NR4A2 P43354 1/20 0.43
SOS2 Q07890 1/20 0.43
FERMT2 Q96AC1 3/20 0.42
CSNK2A1 P68400 5/20 0.39
CYP1A2 P05177 1/20 0.39
CCR1 P32246 1/20 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
SCHEMBL4387604 0.82 NR4A2 (0.40) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL4389974 0.82 RECQL (0.52) NR4A2SOS2FERMT2CSNK2A1CYP1A2
SCHEMBL30471785 0.82 NR4A2 (0.40) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL28175236 0.82 NR4A2 (0.40) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL5531943 0.81 NR4A2 (0.39) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL5528840 0.80 NR4A2 (0.58) LOXL2LOXLOXL3ROCK1NR4A2
SCHEMBL19877353 0.79 NR4A2 (0.38) NR4A2SOS2FERMT2CYP1A2CCR1
SCHEMBL27591763 0.79 NR4A2 (0.38) ROCK1NR4A2SOS2FERMT2CYP1A2
SCHEMBL15219374 0.79 ROCK1 (0.49) LOXL2LOXLOXL3ROCK1CCR1
SCHEMBL8602761 0.78 MAOA (0.46) NR4A2SOS2CYP1A2CCR1

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 10 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
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
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 LOXL2 4086/4885LOX 4356/4885LOXL3 3427/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R LOXL2 2817/4885LOX 2702/4885LOXL3 2250/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN LOXL2 4086/4885LOX 4356/4885LOXL3 3427/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R LOXL2 3598/4885LOX 3157/4885LOXL3 2583/4885

“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.