SCHEMBL3048636

SCHEMBL3048636

O=C(OC1c2ccccc2CC1NCc1ccc(-c2cc3[nH]cnc3cc2C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
QPCT Q16769 2/20 0.31
APOB P04114 1/20 0.31
MTTP P55157 1/20 0.31
SCN9A Q15858 1/20 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
SCHEMBL3050607 0.91 HSD11B1 (0.33) HSD11B1QPCTOPRM1OPRK1
SCHEMBL3043808 0.91 POLB (0.33) HSD11B1QPCTOPRM1OPRK1
SCHEMBL3050325 0.88 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL3047256 0.84 HSD11B1 (0.32) HSD11B1APOBMTTP
SCHEMBL1875561 0.82 HSD11B1 (0.33) HSD11B1QPCT
SCHEMBL3044451 0.82 VSIR (0.34) OPRM1OPRK1
Trifluoroacetic Acid SCHEMBL3048634 0.81 SLC2A1 (0.45) APOBMTTP
SCHEMBL1874617 0.79 QPCT (0.34) HSD11B1QPCT
SCHEMBL3337459 0.78 SLC2A1 (0.37)
SCHEMBL3040341 0.77 HSD11B1 (0.34) HSD11B1QPCT

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 1860/4885NPC1 2935/4885RAB9A 1469/4885

“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.