SCHEMBL47095

SCHEMBL47095

CCCCN(CCCC)C(=O)c1ccc2nc(-c3ccc(Br)cc3)n(CCCN3CCCCC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.49
ADRA1A P35348 2/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MCHR1 Q99705 1/20 0.39
MC5R P33032 2/20 0.37
MC3R P41968 2/20 0.37
CNR1 P21554 1/20 0.37
MC1R Q01726 1/20 0.37

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
SCHEMBL15078498 0.93 MC4R (0.50) MC4RADRA1AKCNH2HRH3MC5R
SCHEMBL15078389 0.88 MC4R (0.42) MC4RMC5RMC3RMC1R
SCHEMBL46858 0.86 MC4R (0.43) MC4RMC5RMC3RMC1R
SCHEMBL47094 0.85 MC4R (0.43) MC4RMC5RMC3RMC1R
SCHEMBL15078494 0.85 MC4R (0.42) MC4RMC5RMC3RMC1R
SCHEMBL11891214 0.83 MC4R (0.70) MC4RMC5RMC3RMC1R
SCHEMBL47200 0.83 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL10070574 0.83 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL10070179 0.83 MC4R (0.42) MC4RMC5RMC3RMC1R
SCHEMBL46860 0.83 ADORA2A (0.45) MC4RMCHR1

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 1/4885ADRA1A 165/4885KCNH2 1124/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MC4R 1/4885ADRA1A 178/4885KCNH2 1143/4885

“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.