SCHEMBL1224745

SCHEMBL1224745

COc1ccc2nccc(N3CCC(O)(CNCc4ccccc4)C3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.38
CYP8B1 Q9UNU6 1/20 0.36
HTR1A P08908 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
SCHEMBL1224748 1.00 KCNH2 (0.38) KCNH2CYP8B1HTR1A
SCHEMBL1222970 0.81 CYP8B1 (0.38) KCNH2CYP8B1
SCHEMBL1222972 0.81 CYP8B1 (0.38) KCNH2CYP8B1
SCHEMBL4062836 0.76 KCNH2 (0.39) KCNH2CYP8B1
SCHEMBL4029185 0.73 KCNH2 (0.44) KCNH2CYP8B1
SCHEMBL4064105 0.70 CYP8B1 (0.41) KCNH2CYP8B1
SCHEMBL5751874 0.69 KCNH2 (0.39) KCNH2
SCHEMBL1223261 0.69 ALDH1A1 (0.45) KCNH2CYP8B1
SCHEMBL1224380 0.68 ALDH1A1 (0.42) KCNH2CYP8B1
SCHEMBL3666281 0.68 CYP8B1 (0.41) KCNH2CYP8B1

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-2915813-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2017-02-01 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 KCNH2 912/4885CYP8B1 902/4885HTR1A 4255/4885

“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.