SCHEMBL5037440

SCHEMBL5037440

CCO[C@H]1CCN(c2cc(C)nc3cc(OCc4ccccc4C#N)ccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
CHRM4 P08173 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP3A4 P08684 3/20 0.36
DPP4 P27487 3/20 0.36
GPR84 Q9NQS5 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5037443 1.00 MAOB (0.41) MAOBCHRM4ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5035808 0.99 MAOB (0.41) MAOBCHRM4ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5035806 0.99 MAOB (0.41) MAOBCHRM4ALDH1A1KDM4EHPGD
SCHEMBL5036288 0.85 MAOB (0.40) MAOBCHRM4ALDH1A1MEN1KMT2A
SCHEMBL5036285 0.85 MAOB (0.40) MAOBCHRM4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5035823 0.84 CHRM4 (0.42) CHRM4ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5035821 0.84 CHRM4 (0.42) CHRM4ALDH1A1MEN1KMT2AMAPT
SCHEMBL5033364 0.84 CHRM4 (0.40) CHRM4ALDH1A1MEN1KMT2APDE10A
Hydrochloric Acid SCHEMBL5040524 0.84 MAOB (0.39) MAOBCHRM4ALDH1A1MEN1KMT2A
SCHEMBL5040644 0.84 CHRM4 (0.43) CHRM4ALDH1A1MEN1KMT2ASLC6A4

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 MAOB 1279/4885CHRM4 2051/4885ALDH1A1 4803/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885CHRM4 2051/4885ALDH1A1 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.