SCHEMBL47119

SCHEMBL47119

CCCCN(CCCC)C(=O)c1ccc2nc(NC(=O)c3ccccc3)n(CCCN3CCCCC3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.52
TSHR P16473 4/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MC4R P32245 7/20 0.48
ADORA2A P29274 2/20 0.47
OPRM1 P35372 4/20 0.45
OPRD1 P41143 4/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 1/20 0.44

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
SCHEMBL47122 0.88 MC4R (0.59) MC4RMC5RMC3RMC1R
SCHEMBL47127 0.87 MC4R (0.59) KMT2AMEN1LMNANPSR1MC4R
SCHEMBL47201 0.86 MC4R (0.42) OPRK1MC4RMC5RMC3RMC1R
SCHEMBL47192 0.85 MC4R (0.47) MC4RMC5RMC3RMC1R
SCHEMBL47257 0.84 MC4R (0.54) MC4RMC5RMC3RMC1R
SCHEMBL47129 0.84 MC4R (0.49) MC4RMC5RMC3RMC1R
SCHEMBL10069669 0.84 MC4R (0.58) MC4RMC5RMC3RMC1R
SCHEMBL47097 0.84 MC4R (0.49) KDM4EHSD17B10MC4RMC5RMC3R
SCHEMBL10070178 0.83 MC4R (0.46) MC4RMC5RMC3RMC1R
SCHEMBL46981 0.83 MC4R (0.42) 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 OPRK1 72/4885TSHR 39/4885KDM4E 2619/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R OPRK1 78/4885TSHR 38/4885KDM4E 2810/4885

“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.