SCHEMBL47096

SCHEMBL47096

CCCCN(CCCC)C(=O)c1nc(O)c2nc(-c3ccc(OC)cc3)n(CCCN3CCCCC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.56
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46
TSPO P30536 1/20 0.42
PDE4B Q07343 1/20 0.42
ADRA1A P35348 2/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL15052015 0.91 MC4R (0.68) MC4RMC5RMC3RMC1R
SCHEMBL42326 0.86 MC4R (0.49) MC4RTSPOPDE4BADRA1AKCNH2
SCHEMBL11891173 0.79 MC4R (0.82) MC4RMC5RMC3RMC1R
SCHEMBL47093 0.77 MC4R (0.69) MC4RMC5RMC3RMC1R
SCHEMBL15078345 0.77 MC4R (0.47) MC4RTSPOPDE4BADRA1AKCNH2
SCHEMBL15078344 0.77 MC4R (0.47) MC4RTSPOPDE4BADRA1AKCNH2
SCHEMBL47168 0.76 MC4R (0.63) MC4RMC5RMC3RMC1RADRA1A
SCHEMBL41414 0.76 MC4R (0.46) MC4RTSPOADRA1AKCNH2HRH3
SCHEMBL47254 0.75 ADRA1A (0.46) MC4RADRA1AKCNH2HRH3KDM4E
SCHEMBL10069671 0.74 MC4R (0.73) MC4RMC5RMC3RMC1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 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-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MC4R 1/4885MC5R 2/4885MC3R 4/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MC4R 1/4885MC5R 2/4885MC3R 4/4885

“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.