SCHEMBL2360179

SCHEMBL2360179

CC1(C)CC(O)CC(C)(CNc2n[nH]c3ccccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
ACHE P22303 1/20 0.39
MAPK10 P53779 14/20 0.39
MAPK8 P45983 8/20 0.39
ADRA2A P08913 1/20 0.36
FADS1 O60427 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL2321772 0.77 HSD11B1 (0.50) HSD11B1ACHE
SCHEMBL12350968 0.77 HSD11B1 (0.43) HSD11B1
SCHEMBL12350687 0.74 HSD11B1 (0.46) HSD11B1
SCHEMBL2360451 0.72 KDM4E (0.43) HSD11B1
SCHEMBL2319306 0.70 HSD11B1 (0.43) HSD11B1
SCHEMBL2322874 0.69 HSD11B1 (0.41) HSD11B1
SCHEMBL12350878 0.69 SSTR4 (0.37) HSD11B1
SCHEMBL2322132 0.68 HSD11B1 (0.41) HSD11B1
SCHEMBL13996487 0.68 UTS2R (0.50) ACHEMAPK10MAPK8ADRA2AFADS1
SCHEMBL2324160 0.67 NPC1 (0.50)

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
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 HSD11B1 433/4885ACHE 856/4885MAPK10 1940/4885

“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.