SCHEMBL1781268

SCHEMBL1781268

CN(C)C1CCN(c2ccc(-n3ccc(CO[Si](C)(C)C(C)(C)C)cc3=O)c(=O)[nH]2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MCHR1 Q99705 10/20 0.33
DUT P33316 2/20 0.32
PARP1 P09874 1/20 0.32
KCNH2 Q12809 1/20 0.31
HTR1B P28222 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL1782083 0.84 PIM1 (0.34) HRH4HRH3MCHR1PARP1KCNH2
SCHEMBL1778177 0.81 CYP11B1 (0.35) HRH4MCHR1
SCHEMBL1781466 0.81 MCHR1 (0.36) MCHR1KCNH2
SCHEMBL1781976 0.80 PIM1 (0.36) HRH4HRH3MCHR1KCNH2HTR1B
SCHEMBL1781265 0.80 MCHR1 (0.48) MCHR1
SCHEMBL1779304 0.78 MCHR1 (0.50) MCHR1KCNH2
SCHEMBL1779198 0.76 MCHR1 (0.45) MCHR1KCNH2
SCHEMBL4888767 0.75 GPR119 (0.30)
SCHEMBL1779390 0.74 MCHR1 (0.47) MCHR1
SCHEMBL1780432 0.74 MCHR1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 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 (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-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R HRH4 342/4885HRH3 448/4885MCHR1 1/4885

“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.