SCHEMBL10025973

SCHEMBL10025973

[CH2-][NH+]1CCC(OC2CCN(C(C)=O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.40
EPHX1 P07099 4/20 0.40
AOC3 Q16853 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAMPT P43490 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL23134531 0.85 CYP1A2 (0.46) EPHX2EPHX1AOC3CYP1A2TDP1
SCHEMBL85149 0.77 CYP1A2 (0.50) EPHX2EPHX1CYP1A2TDP1
SCHEMBL29324905 0.77 KDM4E (0.41) EPHX2EPHX1AOC3CYP1A2TDP1
SCHEMBL10059953 0.75 EPHX2 (0.39) EPHX2EPHX1AOC3CYP1A2TDP1
SCHEMBL13331563 0.74 CYP1A2 (0.41) EPHX2EPHX1CYP1A2TDP1
SCHEMBL10025974 0.72 TP53 (0.45) EPHX2EPHX1MAPTHTT
SCHEMBL23134528 0.72 MAPT (0.38) EPHX2EPHX1AOC3CYP1A2TDP1
SCHEMBL6043112 0.71 CYP1A2 (0.44) EPHX2EPHX1CYP1A2TDP1
SCHEMBL23134625 0.71 CHRM3 (0.40) EPHX2EPHX1CYP1A2TDP1MAPT
SCHEMBL19011541 0.71 EPHX2 (0.49) EPHX2EPHX1CYP1A2TDP1MAPT

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-20120077794-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXSMITHKLINE LLC (US) 2012-03-29 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-20120077794-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R EPHX2 3338/4885EPHX1 1940/4885AOC3 959/4885

“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.