SCHEMBL1224470

SCHEMBL1224470

COc1ccc2nccc(N3CCN(CC4CN(c5ccc(C)c(Br)c5)C(=O)O4)CC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CCR8 P51685 1/20 0.37
ENPP2 Q13822 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1224466 1.00 SIGMAR1 (0.39) SIGMAR1ITGB3ITGA2BCCR8ENPP2
SCHEMBL1223992 0.94 SIGMAR1 (0.39) SIGMAR1ITGB3ITGA2BCCR8ENPP2
SCHEMBL1223995 0.94 SIGMAR1 (0.39) SIGMAR1ITGB3ITGA2BCCR8ENPP2
SCHEMBL1224338 0.93 SIGMAR1 (0.41) SIGMAR1ITGB3ITGA2BCCR8ENPP2
SCHEMBL1224332 0.93 SIGMAR1 (0.41) SIGMAR1ITGB3ITGA2BCCR8ENPP2
SCHEMBL1222572 0.91 MAOA (0.42) SIGMAR1KCNH2
SCHEMBL1222667 0.91 MAOA (0.42) SIGMAR1KCNH2
SCHEMBL1222569 0.91 MAOA (0.42) SIGMAR1KCNH2
SCHEMBL1223926 0.91 KCNH2 (0.43) SIGMAR1KCNH2
SCHEMBL1223924 0.91 KCNH2 (0.43) SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP claimed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP claimed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US claimed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US claimed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP claimed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 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 SIGMAR1 364/4885ITGB3 2353/4885ITGA2B 1882/4885

“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.