SCHEMBL871432

SCHEMBL871432

CC(C)(C)OC(=O)NCCN1CCN(c2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)c(=O)[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
MCHR1 Q99705 11/20 0.41
SUV39H2 Q9H5I1 2/20 0.39
DRD4 P21917 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL871566 0.86 MCHR1 (0.42) MCHR1
SCHEMBL870157 0.85 MCHR1 (0.47) MCHR1
SCHEMBL871433 0.84 DRD4 (0.48) DRD2MCHR1SUV39H2DRD4
SCHEMBL876576 0.80 MCHR1 (0.46) MCHR1
SCHEMBL1781538 0.80 MCHR1 (0.41) MCHR1
SCHEMBL870324 0.80 MCHR1 (0.52) MCHR1
SCHEMBL891268 0.79 MCHR1 (0.44) MCHR1
SCHEMBL870133 0.79 MCHR1 (0.48) MCHR1
SCHEMBL1781350 0.79 MCHR1 (0.48) MCHR1
SCHEMBL891748 0.77 MCHR1 (0.48) MCHR1

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-20120077794-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXSMITHKLINE LLC (US) 2012-03-29 US disclosed
WO-2010141538-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 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-20120077794-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R DRD2 449/4885MCHR1 1/4885SUV39H2 2221/4885

“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.