SCHEMBL10308

SCHEMBL10308

O=C1N(c2ccc(C3CC3)cc2)CC[C@]12CC[C@@H](O)CC2

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.66
EGLN1 Q9GZT9 1/20 0.48
HSD11B1 P28845 1/20 0.43
LIPE Q05469 4/20 0.42
EBP Q15125 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL6137 1.00 HRH3 (0.66) HRH3EGLN1HSD11B1LIPEEBP
SCHEMBL1589768 1.00 HRH3 (0.66) HRH3EGLN1HSD11B1LIPEEBP
SCHEMBL14769168 0.92 HRH3 (0.61) HRH3EGLN1LIPEESR2
SCHEMBL14760991 0.90 HRH3 (0.73) HRH3EGLN1HSD11B1EBPESR2
SCHEMBL12185502 0.90 HRH3 (0.73) HRH3EGLN1HSD11B1EBPESR2
SCHEMBL12303 0.87 HRH3 (0.62) HRH3EGLN1LIPEEBP
SCHEMBL9671 0.85 HRH3 (0.60) HRH3EGLN1HSD11B1EBPESR2
SCHEMBL1589959 0.85 HRH3 (0.60) HRH3EGLN1LIPEESR2
SCHEMBL10149 0.85 HRH3 (0.60) HRH3EGLN1LIPEESR2
SCHEMBL10150 0.85 HRH3 (0.60) HRH3EGLN1LIPEESR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US claimed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO claimed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO 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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE HRH3 3404/4885EGLN1 815/4885HSD11B1 263/4885

“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.