SCHEMBL3367342

SCHEMBL3367342

CC(C)(C)OC(=O)Nc1ccc(OCCCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49

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
SCHEMBL1422634 0.96 FAAH (0.49) FAAHCA12CA1CA2CA9
SCHEMBL13827423 0.92 CYP17A1 (0.48) FAAHCA12CA1CA2CA9
SCHEMBL3335259 0.87 FAAH (0.62) FAAH
SCHEMBL24440584 0.86 MEN1 (0.48) FAAHCA12CA1CA2CA9
SCHEMBL25937564 0.86 MEN1 (0.48) FAAHCA12CA1CA2CA9
SCHEMBL29022674 0.86 FAAH (0.66) FAAH
SCHEMBL6758311 0.86 FAAH (0.66) FAAH
SCHEMBL26079042 0.85 CYP17A1 (0.50) FAAHCA12CA1CA9
SCHEMBL594716 0.84 CYP17A1 (0.52) FAAHCA12CA1CA2CA9
SCHEMBL13637520 0.84 FAAH (0.62) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 FAAH 3853/4885CA12 2884/4885CA1 1870/4885

“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.