SCHEMBL5028642

SCHEMBL5028642

CCC(=O)Nc1ccc2c(N3CC[C@H](OC)C3)cc(C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
MCHR1 Q99705 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL5028647 1.00 HTR1A (0.46) HTR1AHTR1DHTR1BMCHR1MEN1
SCHEMBL5022928 0.91 HTR1A (0.45) HTR1AHTR1DHTR1BMEN1ALDH1A1
SCHEMBL5024559 0.91 HTR1A (0.45) HTR1AHTR1DHTR1BMEN1ALDH1A1
Cyclopropane SCHEMBL5024489 0.83 MEN1 (0.44) MEN1ALDH1A1KMT2A
SCHEMBL5028658 0.82 HTR1A (0.52) HTR1AHTR1DHTR1BMEN1ALDH1A1
SCHEMBL5025333 0.82 RAB9A (0.48) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5025332 0.82 RAB9A (0.48) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5024581 0.82 FASN (0.48) HTR1AHTR1DHTR1BMEN1ALDH1A1
SCHEMBL5024594 0.82 FASN (0.48) HTR1AHTR1DHTR1BMEN1ALDH1A1
SCHEMBL5024379 0.81 HTR1A (0.46) HTR1AHTR1DHTR1BMEN1ALDH1A1

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 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.