SCHEMBL3041802

SCHEMBL3041802

CC(C)CCN(CCC(C)C)C(=O)c1ccc(N)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
NNMT P40261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MLYCD O95822 2/20 0.47
HDAC1 Q13547 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
SCHEMBL10460373 0.84 MLYCD (0.48) MLYCDMC4RF2F10F7
SCHEMBL13691952 0.83 MLYCD (0.41) MLYCDHDAC1HDAC6MC4RF2
SCHEMBL5312194 0.80 SMN1; SMN2 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13691959 0.79 OPRK1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10726188 0.76 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12156556 0.75 MLYCD (0.43) MLYCDMC4RF2F10F7
SCHEMBL611496 0.74 SMN1; SMN2 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13450864 0.73 EPHX2 (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12425360 0.73 OPRM1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12687787 0.73 MLYCD (0.44) MLYCDF2F10F7LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236818-B2 Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-08-07 US disclosed
US-8236818-B2 Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-08-07 US disclosed
US-8236818-B2 Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-08-07 US disclosed
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 US disclosed
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 US disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP disclosed
EP-2144907-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-01-20 EP disclosed
WO-2009080291-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 WO disclosed
EP-2072516-A1 Substituted imidazopyridine derivates as Melancortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-06-24 EP disclosed
WO-2008116665-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-10-02 WO disclosed
WO-2008116665-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-10-02 WO disclosed
EP-1974729-A1 Substituted imidazopyridine derivates as melanocortin- 4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2008-10-01 EP disclosed
EP-1974729-A1 Substituted imidazopyridine derivates as melanocortin- 4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2008-10-01 EP 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-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS MC4R, MC5R, MC3R GABRP 839/4885GABRD 784/4885GABRA1 994/4885
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists MC4R, MC3R, MC5R GABRP 474/4885GABRD 376/4885GABRA1 578/4885

“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.