SCHEMBL5033345

SCHEMBL5033345

CCO[C@H]1CCN(c2cc(C)nc3cc(OCc4cccc(OC)c4)ccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKDC P78527 1/20 0.40
F10 P00742 1/20 0.40
MAOB P27338 3/20 0.39
ACHE P22303 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR6 P50406 1/20 0.38
CHRM4 P08173 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL5033347 1.00 KMT2A (0.45) KMT2AMEN1ALDH1A1HTR1AHTR1D
Hydrochloric Acid SCHEMBL5033336 0.99 KMT2A (0.45) KMT2AMEN1ALDH1A1HTR1AHTR1D
Hydrochloric Acid SCHEMBL5033333 0.99 KMT2A (0.45) KMT2AMEN1ALDH1A1HTR1AHTR1D
Hydrochloric Acid SCHEMBL5035821 0.89 CHRM4 (0.42) KMT2AMEN1ALDH1A1CHRM4
Hydrochloric Acid SCHEMBL5035823 0.89 CHRM4 (0.42) KMT2AMEN1ALDH1A1CHRM4
SCHEMBL5040604 0.86 CHRM4 (0.42) KMT2AMEN1ALDH1A1HTR1AHTR1D
SCHEMBL5040606 0.86 CHRM4 (0.42) KMT2AMEN1ALDH1A1HTR1AHTR1D
Hydrochloric Acid SCHEMBL5035852 0.85 CHRM4 (0.41) KMT2AMEN1ALDH1A1HTR1AHTR1D
Hydrochloric Acid SCHEMBL5035853 0.85 CHRM4 (0.41) KMT2AMEN1ALDH1A1HTR1AHTR1D
SCHEMBL5037494 0.83 NCF1 (0.49) KMT2AMEN1ALDH1A1HTR1AHTR1D

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-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R KMT2A 2649/4885MEN1 1847/4885ALDH1A1 4803/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R KMT2A 2649/4885MEN1 1847/4885ALDH1A1 4803/4885

“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.