SCHEMBL1709119

SCHEMBL1709119

CN(C)C(=O)Oc1ccc2cccnc2c1I

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 12/20 0.62
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL1699754 0.86 KDM4E (0.59) NCEH1KDM4EGAALMNAL3MBTL1
SCHEMBL10385035 0.82 LMNA (0.72) KDM4EGAALMNAL3MBTL1BCHE
Hydrochloric Acid SCHEMBL29611600 0.81 LMNA (0.71) KDM4EGAALMNAL3MBTL1BCHE
SCHEMBL1709101 0.80 KDM4E (0.53) NCEH1KDM4EGAALMNAL3MBTL1
SCHEMBL19182434 0.72 KDM4E (0.64) NCEH1KDM4EGAALMNAL3MBTL1
SCHEMBL11372888 0.70 KDM4E (0.54) NCEH1KDM4EGAALMNAL3MBTL1
SCHEMBL9101160 0.69 LMNA (0.66) KDM4EGAALMNAL3MBTL1BCHE
SCHEMBL1709100 0.69 NCEH1 (0.54) NCEH1LMNABCHEACHE
SCHEMBL23698707 0.69 KDM4E (0.65) NCEH1KDM4EGAALMNAL3MBTL1
SCHEMBL13021655 0.68 KDM4E (0.55) NCEH1KDM4ELMNAL3MBTL1ACHE

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-8691992-B2 Octahydro biquinoline compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-04-08 US disclosed
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-04-12 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-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND CYP2S1, HCRTR2, CYP2B6 NCEH1 73/4885KDM4E 681/4885GAA 2039/4885

“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.