SCHEMBL8046080

SCHEMBL8046080

CCOC(=O)c1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cn2c1CCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.39
SLC2A1 P11166 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL8037842 0.91 SLC2A1 (0.37) MC4RSLC2A1NPC1RAB9APTGS1
SCHEMBL8037985 0.88 MC4R (0.41) MC4RSLC2A1TBXAS1
SCHEMBL12990120 0.87 MC4R (0.49) MC4R
SCHEMBL8046141 0.86 MC4R (0.39) MC4RTBXAS1
SCHEMBL8034742 0.86 MC4R (0.37) MC4RSLC2A1
SCHEMBL3045604 0.84 PDE4A (0.45) MC4RSLC2A1NPC1RAB9APTGS1
SCHEMBL8035790 0.79 MC4R (0.37) MC4RSLC2A1TBXAS1
SCHEMBL11929582 0.79 MC4R (0.39) MC4RSLC2A1TBXAS1
SCHEMBL8037913 0.78 MC4R (0.49) MC4R
SCHEMBL13034740 0.76 HDAC1 (0.35) MC4RSLC2A1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 US disclosed
WO-2009080291-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 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 (1 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 MC4R 1/4885SLC2A1 4133/4885NPC1 3896/4885

“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.