SCHEMBL633222

SCHEMBL633222

COc1ccc2ncnc(OCC3CNC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.47
MTNR1A P48039 4/20 0.47
MAPT P10636 1/20 0.44
GRM1 Q13255 1/20 0.44
EGFR P00533 4/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
CSF1R P07333 2/20 0.41
NCF1 P14598 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ENPP1 P22413 2/20 0.41
KIT P10721 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL3117210 0.82 MTNR1B (0.46) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL3118071 0.82 MTNR1B (0.48) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL5649424 0.81 MTNR1B (0.47) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL3251044 0.80 MTNR1B (0.53) MTNR1BMTNR1AEGFRCYP1A2ENPP1
SCHEMBL3251040 0.80 MTNR1B (0.53) MTNR1BMTNR1AEGFRCYP1A2ENPP1
SCHEMBL6218075 0.77 EGFR (0.40) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL3396546 0.77 MTNR1B (0.45) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL18255965 0.77 MTNR1B (0.45) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL3396544 0.77 MTNR1B (0.45) MTNR1BMTNR1AMAPTGRM1EGFR
SCHEMBL633927 0.75 PIK3CD (0.45) MTNR1BMTNR1AMAPTGRM1IRAK4

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
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 MTNR1B 859/4885MTNR1A 713/4885MAPT 4585/4885

“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.