SCHEMBL1779246

SCHEMBL1779246

CCN[C@H]1CCN(c2ccc(I)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
HMOX1 P09601 1/20 0.41
HRH4 Q9H3N8 8/20 0.40
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
CDC42BPB Q9Y5S2 2/20 0.38
CDC42BPA Q5VT25 1/20 0.38
HRH3 Q9Y5N1 4/20 0.36
ACACB O00763 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36

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
SCHEMBL15652000 0.85 AKT1 (0.47) AKT1HMOX1HRH4KCNH2MCHR1
SCHEMBL17076815 0.85 AKT1 (0.47) AKT1HMOX1HRH4KCNH2MCHR1
SCHEMBL1782143 0.84 GRM2 (0.44) AKT1HMOX1HRH4KCNH2MCHR1
SCHEMBL1782714 0.84 GRM2 (0.44) AKT1HMOX1HRH4KCNH2MCHR1
SCHEMBL1782278 0.84 GRM2 (0.44) AKT1HMOX1HRH4KCNH2MCHR1
SCHEMBL4885872 0.81 HRH4 (0.49) HRH4KCNH2MCHR1HRH3CA12
SCHEMBL18391586 0.79 PDE10A (0.39) ACACB
SCHEMBL13349205 0.79 AKT1 (0.49) AKT1HMOX1HRH4KCNH2ROCK2
SCHEMBL4780968 0.77 CA12 (0.49) KCNH2MCHR1CA12CA1CA2
SCHEMBL14196277 0.77 PDE10A (0.48) KCNH2MCHR1CA12CA1CA2

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 AKT1 4636/4885HMOX1 421/4885HRH4 342/4885

“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.