SCHEMBL1223930

SCHEMBL1223930

COc1ccc2ncnc(N3CCN(CC(O)CNc4ccc5c(c4)OCCO5)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.48
PDGFRB P09619 4/20 0.47
KCNH2 Q12809 1/20 0.46
KIT P10721 1/20 0.43
HTT P42858 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ENPP1 P22413 2/20 0.43
CLK1 P49759 1/20 0.43
KDR P35968 1/20 0.43
PDE5A O76074 1/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 3/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL1224756 0.80 MTNR1B (0.57) MTNR1BPDGFRBKITHTTALDH1A1
SCHEMBL1224758 0.80 MTNR1B (0.57) MTNR1BPDGFRBKITHTTALDH1A1
SCHEMBL1223968 0.79 MTNR1B (0.47) MTNR1BPDGFRBKITENPP1KDR
SCHEMBL1224425 0.73 SIGMAR1 (0.56) MTNR1BENPP1
SCHEMBL1223081 0.73 SIGMAR1 (0.56) MTNR1BENPP1
SCHEMBL1223086 0.73 SIGMAR1 (0.56) MTNR1BENPP1
SCHEMBL592256 0.71 KCNH2 (0.45) KCNH2HTTALDH1A1MAPTNPSR1
SCHEMBL592255 0.71 KCNH2 (0.45) KCNH2HTTALDH1A1MAPTNPSR1
SCHEMBL592253 0.71 KCNH2 (0.45) KCNH2HTTALDH1A1MAPTNPSR1
SCHEMBL3636597 0.69 MTNR1B (0.58) MTNR1BPDGFRBKITHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP disclosed
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

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 MTNR1B 321/4885PDGFRB 3961/4885KCNH2 912/4885

“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.