SCHEMBL2117429

SCHEMBL2117429

CCOC(=O)n1ccc2ccc(OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
MTNR1B P49286 6/20 0.51
TFPI2 P48307 1/20 0.50
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 2/20 0.44
TUBB1 Q9H4B7 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL4795562 0.89 MTNR1A (0.48) MTNR1AMTNR1BTFPI2HTR2AHTR2C
SCHEMBL2119201 0.88 TUBB1 (0.56) MTNR1AMTNR1BTFPI2HTR2CMAPT
SCHEMBL2117368 0.83 MAPK11 (0.49) MAPK11MAPK14HTR2AHTR2CSMN1; SMN2
SCHEMBL2117935 0.82 MAPK11 (0.48) MAPK11MAPK14MAPTKDM4EALDH1A1
SCHEMBL5569918 0.81 TFPI2 (0.57) MTNR1AMTNR1BTFPI2HTR2AHTR2C
SCHEMBL28409121 0.81 MTNR1A (0.55) MTNR1AMTNR1BTFPI2HTR2AHTR2C
SCHEMBL30297606 0.81 TFPI2 (0.57) MTNR1AMTNR1BTFPI2HTR2AHTR2C
SCHEMBL982760 0.81 TFPI2 (0.49) MTNR1AMTNR1BTFPI2HTR2AHTR2C
SCHEMBL12531335 0.81 MAPK11 (0.47) MAPK11MAPK14MAPTNPSR1KDM4E
SCHEMBL2117444 0.81 OXER1 (0.55) MAPK11MAPK14MAPTKDM4EALDH1A1

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
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B MTNR1A 167/4885MTNR1B 120/4885TFPI2 1926/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B MTNR1A 167/4885MTNR1B 120/4885TFPI2 1926/4885

“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.