SCHEMBL5024581

SCHEMBL5024581

CO[C@H]1CCN(c2cc(C)nc3cc(NC(=O)c4ccc(C#N)cc4)ccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.48
LRRK2 Q5S007 1/20 0.44
MAPK14 Q16539 2/20 0.43
ESR1 P03372 1/20 0.43
MLLT1 Q03111 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ITK Q08881 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5024594 1.00 FASN (0.48) FASNLRRK2MAPK14ESR1MLLT1
SCHEMBL5026881 0.91 MLLT1 (0.42) FASNLRRK2MAPK14ESR1MLLT1
SCHEMBL5026878 0.91 MLLT1 (0.42) FASNLRRK2MAPK14ESR1MLLT1
SCHEMBL5026913 0.91 MLLT1 (0.42) FASNLRRK2MAPK14ESR1MLLT1
Hydrochloric Acid SCHEMBL5024398 0.90 PIN1 (0.42) FASNLRRK2MAPK14ESR1MLLT1
Hydrochloric Acid SCHEMBL5024394 0.90 PIN1 (0.42) FASNLRRK2MAPK14ESR1MLLT1
SCHEMBL5024527 0.85 MMP1 (0.51) LRRK2MAPK14ESR1MLLT1MAPT
SCHEMBL5025332 0.83 RAB9A (0.48) MAPTTP53MEN1KMT2ANPC1
SCHEMBL5025333 0.83 RAB9A (0.48) MAPTTP53MEN1KMT2ANPC1
SCHEMBL5028647 0.82 HTR1A (0.46) MEN1KMT2AHTR1AHTR1DHTR1B

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 3 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
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 FASN 936/4885LRRK2 2742/4885MAPK14 1253/4885

“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.