SCHEMBL5524115

SCHEMBL5524115

Cc1cc(N2CCCC2)c2ccc(COc3ccncc3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.50
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
FGFR1 P11362 1/20 0.39
CSF1R P07333 1/20 0.39
MAPT P10636 1/20 0.37
PKM P14618 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPY5R Q15761 1/20 0.36
CHRM4 P08173 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL5513306 0.90 NCF1 (0.61) NCF1ADRB2ADRB1MAPTPKM
SCHEMBL5518639 0.90 NCF1 (0.51) NCF1ADRB2ADRB1MAPTHSD17B10
SCHEMBL5521248 0.89 NCF1 (0.50) NCF1MAPTLMNAHTTNPY5R
SCHEMBL5037370 0.89 NCF1 (0.50) NCF1ADRB2ADRB1FGFR1CSF1R
SCHEMBL5035781 0.88 NCF1 (0.52) NCF1ADRB2ADRB1FGFR1CSF1R
Hydrochloric Acid SCHEMBL5040516 0.88 NCF1 (0.49) NCF1ADRB2ADRB1FGFR1CSF1R
SCHEMBL5514274 0.88 NCF1 (0.49) NCF1ADRB2ADRB1CHRM4HRH3
SCHEMBL5514944 0.87 NCF1 (0.46) NCF1HRH3
Hydrochloric Acid SCHEMBL5042681 0.87 NCF1 (0.51) NCF1ADRB2ADRB1FGFR1CSF1R
SCHEMBL5521555 0.86 NCF1 (0.47) NCF1ADRB2ADRB1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NCF1 1277/4885ADRB2 678/4885ADRB1 310/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885ADRB2 496/4885ADRB1 510/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885ADRB2 678/4885ADRB1 310/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885ADRB2 819/4885ADRB1 735/4885

“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.