SCHEMBL3052845

SCHEMBL3052845

COc1cccc2c1CC(NCc1ccc(-c3ccc4[nH]cnc4c3)cc1)C2OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.35
HSD11B1 P28845 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD2 P14416 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CCR2 P41597 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL3044091 0.88 QPCT (0.39) QPCTHSD11B1KMT2AL3MBTL1ABCB1
SCHEMBL3050325 0.86 HSD11B1 (0.33) QPCTHSD11B1
SCHEMBL3040341 0.86 HSD11B1 (0.34) QPCTHSD11B1POLBCCR2
Trifluoroacetic Acid SCHEMBL3052842 0.79 DRD2 (0.44) ABCB1DRD2MAPT
SCHEMBL3050607 0.77 HSD11B1 (0.33) QPCTHSD11B1
Trifluoroacetic Acid SCHEMBL3044087 0.76 ABCB1 (0.41) QPCTKMT2AMEN1ABCB1DRD2
SCHEMBL3043808 0.75 POLB (0.33) QPCTHSD11B1POLB
SCHEMBL3048636 0.75 HSD11B1 (0.33) QPCTHSD11B1
SCHEMBL1875561 0.73 HSD11B1 (0.33) QPCTHSD11B1KDM4E
Hydrochloric Acid SCHEMBL3034632 0.73 ABCB1 (0.34) QPCTHSD11B1KMT2AMEN1ABCB1

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 QPCT 1796/4885HSD11B1 1860/4885KMT2A 3326/4885

“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.