SCHEMBL13124159

SCHEMBL13124159

CCN(CC)C(=O)C(C)(C)c1ccc2nc(NCc3ccc(C(=O)OC)cc3)n(CCCN3CCCCC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.55
OPRK1 P41145 1/20 0.46
MC5R P33032 2/20 0.44
MC3R P41968 2/20 0.44
MC1R Q01726 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 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
SCHEMBL13124127 0.92 MC4R (0.61) MC4RMC5RMC3RMC1R
SCHEMBL13124155 0.91 MC4R (0.68) MC4RMC5RMC3RMC1R
SCHEMBL13124166 0.90 MC4R (0.65) MC4RMC5RMC3RMC1R
SCHEMBL13124160 0.87 MC4R (0.49) MC4RMC5RMC3RMC1R
SCHEMBL13124161 0.85 MC4R (0.52) MC4RMC5RMC3RMC1R
SCHEMBL13124164 0.85 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL13124613 0.82 MC4R (0.70) MC4RMC5RMC3RMC1R
SCHEMBL13124169 0.82 MC4R (0.65) MC4RMC5RMC3RMC1R
SCHEMBL13124137 0.82 MC4R (0.71) MC4RMC5RMC3RMC1R
SCHEMBL13124173 0.81 MC4R (0.66) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816539-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2010-10-19 US disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
US-7501524-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 US disclosed
US-7501524-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 US disclosed
US-7501525-B2 Derivatives of benzimidazole and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 US disclosed
US-7501525-B2 Derivatives of benzimidazole and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 US disclosed
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-06-12 US disclosed
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-06-12 US disclosed
US-7355052-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-04-08 US disclosed
US-7355052-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-04-08 US 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R MC4R 1/4885OPRK1 193/4885MC5R 4/4885
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments MC4R, MC1R, MC3R MC4R 1/4885OPRK1 135/4885MC5R 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.