SCHEMBL5518640

SCHEMBL5518640

Cc1ccc(OCc2ccc3c(N4CCCC4)cc(C)nc3c2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.44
XDH P47989 4/20 0.40
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
HTR6 P50406 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL5517271 0.90 NCF1 (0.42) NCF1XDHNOS3NOS1HTR6
SCHEMBL5519063 0.90 NCF1 (0.42) NCF1XDH
SCHEMBL5513324 0.90 NCF1 (0.42) NCF1XDHALOX15CASP1HSD17B10
SCHEMBL5517334 0.89 NCF1 (0.50) NCF1ALDH1A1HSD17B10HTR6ADRB2
SCHEMBL7044443 0.88 NCF1 (0.52) NCF1TSHRALDH1A1HTR6NPSR1
SCHEMBL5519202 0.88 MEN1 (0.41) NCF1NOS3NOS1
SCHEMBL5521135 0.87 NCF1 (0.45) NCF1TSHRKDM4EALDH1A1ALOX15
SCHEMBL5519494 0.87 NCF1 (0.42) NCF1XDHTSHRKDM4EALDH1A1
SCHEMBL5531932 0.87 FFAR1 (0.43) NCF1NOS3NOS1HTR6
SCHEMBL5522244 0.87 NCF1 (0.42) NCF1TSHRKDM4EALDH1A1ALOX15

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 NCF1 1277/4885XDH 1208/4885TSHR 2009/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885XDH 3189/4885TSHR 117/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885XDH 1208/4885TSHR 2009/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885XDH 3218/4885TSHR 91/4885

“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.