SCHEMBL2804110

SCHEMBL2804110

CC1CCC(CNc2nc(N)c3ccccc3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.62
ADRA2A P08913 3/20 0.62
AQP1 P29972 2/20 0.62
MCHR1 Q99705 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
NPY4R P50391 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SLC6A4 P31645 2/20 0.60
APP P05067 10/20 0.56

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
SCHEMBL2636281 0.88 NPY5R (0.64) NPY5RADRA2AAQP1MCHR1ALDH1A1
SCHEMBL8908378 0.88 NPY5R (0.64) NPY5RADRA2AAQP1MCHR1ALDH1A1
SCHEMBL2804108 0.87 NPY5R (0.62) NPY5RADRA2AAQP1MCHR1ALDH1A1
SCHEMBL8899497 0.87 NPY5R (0.62) NPY5RADRA2AAQP1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL8906965 0.87 NPY5R (0.62) NPY5RADRA2AAQP1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL2675360 0.87 NPY5R (0.62) NPY5RADRA2AAQP1MCHR1ALDH1A1
SCHEMBL6674509 0.85 NPY5R (0.60) NPY5RADRA2AAQP1MCHR1ALDH1A1
SCHEMBL8901692 0.84 NPY5R (0.72) NPY5RADRA2AAQP1MCHR1ALDH1A1
SCHEMBL8901686 0.84 NPY5R (0.72) NPY5RADRA2AAQP1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL8899807 0.83 NPY5R (0.71) NPY5RADRA2AAQP1MCHR1ALDH1A1

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
US-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 US disclosed
US-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-17 US disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 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 (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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF CYP3A43, CYP11B1, CYP11B2 NPY5R 312/4885ADRA2A 155/4885AQP1 1174/4885
US-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments CYP11B2, GOT2, CYP11B1 NPY5R 1591/4885ADRA2A 539/4885AQP1 2553/4885

“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.