SCHEMBL5028565

SCHEMBL5028565

CN(c1ccc2c(N3CCCC3)ccnc2c1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CHKA P35790 1/20 0.54
ADRB2 P07550 2/20 0.43
NCF1 P14598 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
IDE P14735 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.42
CLK1 P49759 1/20 0.42
EHMT2 Q96KQ7 2/20 0.41
EHMT1 Q9H9B1 2/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL5022698 0.81 NCF1 (0.54) PKMCASP1HSD17B10ADRB2NCF1
SCHEMBL27644540 0.74 ADRB2 (0.53) ADRB2NCF1MAPK1DRD3KCNH2
SCHEMBL5495835 0.73 MEN1 (0.51) HSD17B10KMT2AMEN1MAPK1
SCHEMBL29455010 0.72 PKM (0.68) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5036271 0.72 PKM (0.68) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL17327869 0.72 PKM (1.00) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5409114 0.72 PKM (0.68) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5025316 0.72 PKM (0.68) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL5133941 0.71 GAA (0.63) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL30817042 0.71 PKM (0.64) 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 4 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
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US 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.