SCHEMBL41414

SCHEMBL41414

COC(=O)c1nc(Cl)c2nc(-c3ccc(OC)cc3)n(CCCN3CCCCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.46
ACHE P22303 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CHRNA3 P32297 2/20 0.42
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALOX15 P16050 1/20 0.40
AVPR1B P47901 1/20 0.40
TSPO P30536 1/20 0.40

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
SCHEMBL15078344 0.92 MC4R (0.47) MC4RACHEMAPTPOLBCHRNA3
SCHEMBL15078345 0.92 MC4R (0.47) MC4RACHEMAPTPOLBCHRNA3
SCHEMBL42062 0.83 MC4R (0.51) MC4RACHEMAPTPOLBCHRNA3
SCHEMBL42326 0.81 MC4R (0.49) MC4RACHEMAPTPOLBCHRNA3
SCHEMBL45263 0.81 SIGMAR1 (0.49) MC4RACHEMAPTPOLBKCNH2
SCHEMBL47096 0.76 MC4R (0.56) MC4RACHEMAPTPOLBKCNH2
SCHEMBL40920 0.76 MC4R (0.51) MC4RACHEMAPTPOLBKCNH2
SCHEMBL15078360 0.76 MC4R (0.51) MC4RACHEMAPTPOLBKCNH2
SCHEMBL15052015 0.75 MC4R (0.68) MC4R
SCHEMBL47093 0.70 MC4R (0.69) MC4R

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 6 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
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 1/4885ACHE 3843/4885MAPT 3453/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MC4R 1/4885ACHE 3701/4885MAPT 3371/4885

“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.