SCHEMBL10814

SCHEMBL10814

COc1ccc(CCN2CC[C@]3(CC[C@@H](O)CC3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
CCR3 P51677 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
HSD11B1 P28845 2/20 0.42
DAO P14920 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
SCHEMBL10813 1.00 SIGMAR1 (0.47) SIGMAR1HRH3CCR3NPC1RAB9A
SCHEMBL12701636 1.00 SIGMAR1 (0.47) SIGMAR1HRH3CCR3NPC1RAB9A
SCHEMBL4735 0.86 CCR3 (0.44) SIGMAR1HRH3CCR3KMT2AHSD11B1
SCHEMBL9967 0.86 CCR3 (0.44) SIGMAR1HRH3CCR3KMT2AHSD11B1
SCHEMBL12701761 0.86 CCR3 (0.44) SIGMAR1HRH3CCR3KMT2AHSD11B1
SCHEMBL10292 0.84 CCR3 (0.55) SIGMAR1CCR3KMT2AHSD11B1DAO
SCHEMBL10291 0.84 CCR3 (0.55) SIGMAR1CCR3KMT2AHSD11B1DAO
SCHEMBL12701792 0.84 CCR3 (0.55) SIGMAR1CCR3KMT2AHSD11B1DAO
SCHEMBL19839346 0.79 GAA (0.48) GSK3AGSK3BKMT2AHSD11B1
SCHEMBL3745589 0.76 LIPE (0.50) CCR3RAB9AKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US claimed
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 SIGMAR1 3719/4885HRH3 3404/4885CCR3 2793/4885

“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.