SCHEMBL5025316

SCHEMBL5025316

Ic1ccc2c(N3CCCC3)ccnc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
ALOX15 P16050 1/20 0.68
CASP1 P29466 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CHKA P35790 1/20 0.66
ADRB2 P07550 3/20 0.51
NCF1 P14598 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
PDE3A Q14432 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
DPP4 P27487 1/20 0.46
RAD52 P43351 1/20 0.46
CLK1 P49759 1/20 0.46

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
SCHEMBL5409114 0.81 PKM (0.68) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5036271 0.81 PKM (0.68) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL29455010 0.81 PKM (0.68) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL17327869 0.81 PKM (1.00) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5307848 0.79 CHKA (1.00) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL29417910 0.79 CHKA (1.00) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL17327868 0.79 CHKA (1.00) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5133941 0.77 GAA (0.63) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL3649189 0.76 NCF1 (0.73) PKMALOX15CASP1HSD17B10CHKA
Hydrochloric Acid SCHEMBL5035840 0.76 GAA (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US 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 (1 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R PKM 1573/4885ALOX15 1606/4885CASP1 780/4885

“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.