SCHEMBL5028658

SCHEMBL5028658

CCC(=O)Nc1ccc2c(N3CCCC3)cc(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
NCF1 P14598 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 1/20 0.48
TERT O14746 4/20 0.47
POT1 Q9NUX5 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL5024458 0.89 GAA (0.50) HTR1AHTR1DHTR1BNCF1ALDH1A1
Cyclopropane SCHEMBL5025453 0.88 NCF1 (0.61) NCF1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5024484 0.85 HTR1A (0.52) HTR1AHTR1DHTR1BNCF1MEN1
SCHEMBL5022710 0.82 NCF1 (0.48) HTR1AHTR1DHTR1BNCF1HTT
SCHEMBL5028642 0.82 HTR1A (0.46) HTR1AHTR1DHTR1BALDH1A1MEN1
SCHEMBL5028647 0.82 HTR1A (0.46) HTR1AHTR1DHTR1BALDH1A1MEN1
SCHEMBL5022727 0.82 MAPT (0.49) HTR1AHTR1DHTR1BNCF1HTT
SCHEMBL5024559 0.81 HTR1A (0.45) HTR1AHTR1DHTR1BALDH1A1MEN1
SCHEMBL5022928 0.81 HTR1A (0.45) HTR1AHTR1DHTR1BALDH1A1MEN1
SCHEMBL5026960 0.81 MAPT (0.61) HTR1AHTR1DHTR1BHTTNPC1

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
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (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 HTR1A 157/4885HTR1D 149/4885HTR1B 155/4885

“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.