SCHEMBL1224809

SCHEMBL1224809

N[C@@H]1CCN(c2ccnc3ccc(F)cc23)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.55
PIK3CA P42336 2/20 0.49
CYP2C19 P33261 1/20 0.49
PBK Q96KB5 2/20 0.46
CYP8B1 Q9UNU6 1/20 0.46
AKT2 P31751 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
SSTR2 P30874 3/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
NCF1 P14598 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 1/20 0.41
F2RL1 P55085 2/20 0.41

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
SCHEMBL1224810 1.00 CHRM4 (0.55) CHRM4PIK3CACYP2C19PBKCYP8B1
SCHEMBL1223880 0.92 CHRM4 (0.60) CHRM4PIK3CACYP2C19CYP8B1AKT2
SCHEMBL24018033 0.81 CHRM4 (0.48) CHRM4PIK3CACYP8B1NCF1CCNC
SCHEMBL1224243 0.81 CDK8 (0.48) PIK3CACYP2C19PBKCYP8B1AKT2
SCHEMBL1223420 0.81 NCF1 (0.62) CHRM4PIK3CACYP2C19PBKHRH4
SCHEMBL1223418 0.81 NCF1 (0.62) CHRM4PIK3CACYP2C19PBKHRH4
SCHEMBL1224246 0.81 CDK8 (0.48) PIK3CACYP2C19PBKCYP8B1AKT2
SCHEMBL5137952 0.81 NCF1 (0.56) PIK3CACYP2C19PBKAKT2HRH4
SCHEMBL17729980 0.81 CHRM4 (0.56) CHRM4PIK3CACYP8B1AKT2ROCK2
SCHEMBL20935457 0.79 CHRM4 (0.54) CHRM4PIK3CACYP8B1AKT2NCF1

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 5 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

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 CHRM4 1317/4885PIK3CA 3947/4885CYP2C19 620/4885

“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.