SCHEMBL3614231

SCHEMBL3614231

COC(=O)c1cnn2ccc(OCc3ccccc3)cc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 2/20 0.66
MAOB P27338 2/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
NR4A2 P43354 1/20 0.44
SMPD1 P17405 1/20 0.43
ALKBH1 Q13686 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
SRD5A2 P31213 1/20 0.42
PTPN1 P18031 1/20 0.42
ROCK1 Q13464 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 1/20 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
SCHEMBL15882227 0.90 EPHB3 (0.56) EPHB3LMNADRD2DRD4DRD3
SCHEMBL3611334 0.88 EPHB3 (0.66) EPHB3MAOBNR4A2ALKBH1MEN1
SCHEMBL22650738 0.83 EPHB3 (0.60) EPHB3MAOBNR4A2ALKBH1MEN1
SCHEMBL1324201 0.82 EPHB3 (0.46) EPHB3MAOBLMNAHPGDALKBH1
SCHEMBL17321352 0.82 EPHB3 (0.47) EPHB3MAOBLMNAKMT2ADRD2
SCHEMBL3612887 0.81 EPHB3 (0.61) EPHB3LMNANR4A2KMT2ADRD2
SCHEMBL20195815 0.81 EPHB3 (0.46) EPHB3LMNAKMT2ADRD2DRD4
SCHEMBL2878118 0.80 EPHB3 (1.00) EPHB3MEN1KMT2AROCK1NPC1
SCHEMBL3617401 0.79 EPHB3 (0.44) EPHB3MAOBLMNADRD2DRD4
SCHEMBL17311761 0.78 EPHB3 (0.57) EPHB3NR4A2ALKBH1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 EPHB3 2529/4885MAOB 13/4885LMNA 4009/4885

“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.