SCHEMBL769708

SCHEMBL769708

O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC3(CCCN3)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.48
KCNH2 Q12809 3/20 0.39
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRND Q07001 1/20 0.38

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
SCHEMBL769628 0.97 MCHR1 (0.48) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL769382 0.94 MCHR1 (0.47) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL770796 0.85 MCHR1 (0.50) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL770114 0.84 MCHR1 (0.53) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL769709 0.83 MCHR1 (0.43) MCHR1
SCHEMBL769241 0.83 MCHR1 (0.55) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL870323 0.83 MCHR1 (0.59) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL770179 0.83 MCHR1 (0.47) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL785544 0.82 MCHR1 (0.49) MCHR1KCNH2DPP4DPP8DPP9
SCHEMBL770080 0.82 MCHR1 (0.51) MCHR1KCNH2DPP4DPP8DPP9

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-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 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-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 3357/4885DPP4 502/4885

“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.