SCHEMBL3050607

SCHEMBL3050607

Cc1cc2nc[nH]c2cc1-c1ccc(CNC2Cc3ccccc3C2OC(=O)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.33
MAP4K1 Q92918 2/20 0.32
SLC2A1 P11166 1/20 0.32
QPCT Q16769 4/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 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
SCHEMBL3043808 0.91 POLB (0.33) HSD11B1QPCTOPRM1OPRK1
SCHEMBL3048636 0.91 HSD11B1 (0.33) HSD11B1QPCTOPRM1OPRK1
SCHEMBL3050325 0.88 HSD11B1 (0.33) HSD11B1SLC2A1QPCT
SCHEMBL3047256 0.87 HSD11B1 (0.32) HSD11B1SLC2A1
SCHEMBL3044451 0.85 VSIR (0.34) OPRM1OPRK1
SCHEMBL1875561 0.82 HSD11B1 (0.33) HSD11B1QPCT
Trifluoroacetic Acid SCHEMBL3050605 0.81 SLC2A1 (0.48) SLC2A1
SCHEMBL1874617 0.79 QPCT (0.34) HSD11B1QPCT
SCHEMBL3040341 0.79 HSD11B1 (0.34) HSD11B1QPCT
SCHEMBL3337459 0.78 SLC2A1 (0.37) SLC2A1

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HSD11B1 1860/4885MAP4K1 1613/4885SLC2A1 4262/4885

“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.