Sugi Predict

Sugi Predict / Compounds / SCHEMBL5522402

SCHEMBL5522402

SCHEMBL5522402

Cc1cc(N2CCCC2)c2ccc(CNc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NOS1 P29475 3/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ CACNA1B Q00975 2/20 0.41
▸ HRH4 Q9H3N8 2/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ APP P05067 1/20 0.38
▸ GAA P10253 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
SCHEMBL5024451 0.94 NCF1 (0.46) NCF1ALDH1A1LMNAPOLBTSHR
SCHEMBL5521290 0.84 NCF1 (0.43) NCF1ALDH1A1LMNAPOLBTSHR
SCHEMBL5026895 0.84 NCF1 (0.51) NCF1ALDH1A1LMNAPOLBTSHR
SCHEMBL5522398 0.83 NCF1 (0.40) NCF1
SCHEMBL5524058 0.83 PDE5A (0.38) ALDH1A1NOS1NOS3CACNA1BHRH4
SCHEMBL5524062 0.83 PDE5A (0.38) ALDH1A1NOS1NOS3CACNA1BHRH4
SCHEMBL5521555 0.82 NCF1 (0.47) NCF1ALDH1A1LMNAPOLBTSHR
SCHEMBL5516227 0.82 NCF1 (0.59) NCF1ALDH1A1LMNAPOLBTSHR
SCHEMBL5024554 0.81 NCF1 (0.51) NCF1ALDH1A1HTTKDM4EMEN1
SCHEMBL5521397 0.81 NCF1 (0.49) NCF1ALDH1A1LMNAPOLBTSHR

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 17 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
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 — — US 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 1277/4885ALDH1A1 700/4885LMNA 2524/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885ALDH1A1 3610/4885LMNA 2603/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885ALDH1A1 700/4885LMNA 2524/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885ALDH1A1 4005/4885LMNA 2424/4885

“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.