SCHEMBL10241618

SCHEMBL10241618

COc1cncc(NC(=O)[C@@H]2C[C@@]2(COc2cc(=O)n(C)nc2C)C2C=CC=CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.34
HCRTR2 O43614 6/20 0.34
SCN10A Q9Y5Y9 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL10239723 0.91 HCRTR1 (0.33) HCRTR1HCRTR2SCN10A
SCHEMBL10239944 0.87 HCRTR2 (0.40) HCRTR1HCRTR2
SCHEMBL10241598 0.86 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL2618758 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL10241632 0.82 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL2618596 0.82 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL10241205 0.82 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL9950292 0.79 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL10239720 0.77 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL10239683 0.77 HCRTR2 (0.41) HCRTR1HCRTR2

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-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 HCRTR1 2/4885HCRTR2 1/4885SCN10A 1048/4885

“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.