SCHEMBL5520194

SCHEMBL5520194

Cc1cc2c(N3CCCC3)ccnc2cc1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CHKA P35790 1/20 0.50
EHMT2 Q96KQ7 2/20 0.47
EHMT1 Q9H9B1 2/20 0.47
NCF1 P14598 5/20 0.43
RXFP1 Q9HBX9 1/20 0.43
IDE P14735 1/20 0.42
DPP4 P27487 1/20 0.41
CLK1 P49759 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CCR5 P51681 1/20 0.40
ADRB2 P07550 2/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
PDE4D Q08499 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
SCHEMBL5515836 0.80 NCF1 (0.56) PKMHSD17B10NCF1ALDH1A1ADRB2
SCHEMBL5529565 0.78 NCF1 (0.58) PKMHSD17B10NCF1ALDH1A1ADRB2
SCHEMBL5513277 0.78 CHRM4 (0.40) EHMT2EHMT1NCF1RXFP1IDE
SCHEMBL5513280 0.78 CHRM4 (0.40) EHMT2EHMT1NCF1RXFP1IDE
SCHEMBL5513315 0.77 NCF1 (0.41) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5522359 0.77 CDK8 (0.44) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5520884 0.76 NCF1 (0.43) PKMHSD17B10CHKANCF1ALDH1A1
SCHEMBL5521371 0.74 NCF1 (0.41) HSD17B10NCF1ALDH1A1
SCHEMBL5516033 0.74 CYP19A1 (0.41) CYP19A1
SCHEMBL25656138 0.73 NCF1 (0.62) PKMALOX15CASP1HSD17B10CHKA

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 PKM 3039/4885ALOX15 3205/4885CASP1 202/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R PKM 2995/4885ALOX15 1674/4885CASP1 1192/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN PKM 3039/4885ALOX15 3205/4885CASP1 202/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R PKM 3080/4885ALOX15 2829/4885CASP1 1151/4885

“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.