SCHEMBL1223940

SCHEMBL1223940

COc1ccc2nccc(N3CCN(CC4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)CC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
DRD4 P21917 4/20 0.42
HTR1A P08908 7/20 0.42
HTR1D P28221 6/20 0.42
HTR1B P28222 5/20 0.42
SLC6A4 P31645 5/20 0.42
HTR2A P28223 2/20 0.42
SIGMAR1 Q99720 7/20 0.40
DRD3 P35462 3/20 0.39
KCNH2 Q12809 3/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL1223298 1.00 DRD2 (0.42) DRD2DRD4HTR1AHTR1DHTR1B
SCHEMBL1224492 0.97 HTR1A (0.40) DRD2DRD4HTR1AHTR1DHTR1B
SCHEMBL1224494 0.97 HTR1A (0.40) DRD2DRD4HTR1AHTR1DHTR1B
SCHEMBL1224569 0.88 KCNH2 (0.44) KCNH2
SCHEMBL1224571 0.88 KCNH2 (0.44) KCNH2
SCHEMBL1223525 0.87 KCNH2 (0.50) KCNH2
SCHEMBL1224083 0.87 KCNH2 (0.50) KCNH2
SCHEMBL1223721 0.87 KCNH2 (0.50) KCNH2
SCHEMBL632789 0.87 KCNH2 (0.43) HTR1ASIGMAR1KCNH2
SCHEMBL632790 0.87 KCNH2 (0.43) HTR1ASIGMAR1KCNH2

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 9 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-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

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 DRD2 78/4885DRD4 60/4885HTR1A 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.