SCHEMBL3050325

SCHEMBL3050325

O=C(OC1c2ccccc2CC1NCc1ccc(-c2ccc3[nH]cnc3c2)cc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.33
SLC2A1 P11166 3/20 0.33
HDAC1 Q13547 1/20 0.32
QPCT Q16769 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
PYGL P06737 1/20 0.31
HTR5A P47898 1/20 0.30
TEK Q02763 2/20 0.30
KDR P35968 1/20 0.30
EPHB4 P54760 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
MMP1 P03956 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
SCHEMBL3048636 0.88 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL3050607 0.88 HSD11B1 (0.33) HSD11B1SLC2A1QPCT
SCHEMBL3043808 0.88 POLB (0.33) HSD11B1QPCTPYGL
SCHEMBL3040341 0.88 HSD11B1 (0.34) HSD11B1QPCT
SCHEMBL3044091 0.87 QPCT (0.39) HSD11B1SLC2A1QPCT
SCHEMBL3052845 0.86 QPCT (0.35) HSD11B1QPCT
SCHEMBL3337459 0.84 SLC2A1 (0.37) SLC2A1HDAC1HTR5AMMP1
SCHEMBL1875561 0.84 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL1874617 0.84 QPCT (0.34) HSD11B1QPCT
SCHEMBL3044451 0.84 VSIR (0.34)

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 1860/4885SLC2A1 4262/4885HDAC1 2221/4885

“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.