SCHEMBL1222848

SCHEMBL1222848

COc1ccc2nccc(N3CC(N(C)C(=O)OCc4ccccc4)C3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
PDE10A Q9Y233 2/20 0.37
CCR5 P51681 1/20 0.37
CCRL2 O00421 1/20 0.37
KCNH2 Q12809 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL1224380 0.83 ALDH1A1 (0.42) CYP8B1KCNH2
SCHEMBL3634575 0.82 CYP8B1 (0.38) CYP8B1KCNH2
SCHEMBL1222803 0.76 CYP8B1 (0.43) CYP8B1SIGMAR1TMEM97
SCHEMBL3630741 0.76 EHMT2 (0.48) CYP8B1KCNH2EHMT2EHMT1PIK3CD
SCHEMBL3177584 0.75 MAP4K4 (0.52) CYP8B1PDE10AKCNH2PIK3CDPIK3CA
SCHEMBL1224035 0.73 CYP2C19 (0.43) CYP8B1KCNH2PIK3CA
SCHEMBL3666283 0.73 CYP8B1 (0.41) CYP8B1KCNH2
SCHEMBL3666281 0.73 CYP8B1 (0.41) CYP8B1KCNH2
SCHEMBL1224249 0.73 EHMT2 (0.49) CYP8B1KCNH2EHMT2EHMT1PIK3CD
SCHEMBL1224361 0.72 GRM2 (0.44) CYP8B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144910-B1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2015-10-28 EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 CYP8B1 902/4885SIGMAR1 364/4885PDE10A 2170/4885

“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.