SCHEMBL4380

SCHEMBL4380

CCCNC(=O)O[C@H]1CC[C@@]2(CCN(c3ccc(CC)cc3)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.46
LIPE Q05469 6/20 0.44
USP2 O75604 1/20 0.44
KCNA3 P22001 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.40
METAP2 P50579 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
KCNA2 P16389 1/20 0.39
KCNA1 Q09470 1/20 0.39

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
SCHEMBL1589247 1.00 EGLN1 (0.46) EGLN1LIPEUSP2KCNA3NPC1
SCHEMBL1589408 0.87 LIPE (0.61) LIPEMETAP2
SCHEMBL12701474 0.87 LIPE (0.61) LIPEMETAP2
SCHEMBL1589695 0.84 BCHE (0.50) EGLN1KCNA3NPC1RAB9APOLB
SCHEMBL12701927 0.84 BCHE (0.50) EGLN1KCNA3NPC1RAB9APOLB
SCHEMBL1589410 0.83 METAP2 (0.55) EGLN1LIPEMETAP2
SCHEMBL4739 0.83 METAP2 (0.55) EGLN1LIPEMETAP2
SCHEMBL1589693 0.78 LIPE (0.54) LIPEMETAP2
SCHEMBL12701508 0.78 LIPE (0.54) LIPEMETAP2
SCHEMBL12724112 0.78 ALDH1A1 (0.44) LIPEKCNA3NPC1RAB9AMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US claimed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE EGLN1 815/4885LIPE 3/4885USP2 1132/4885

“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.