SCHEMBL3616229

SCHEMBL3616229

COC(=O)c1cnn2c(OC)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
NR4A2 P43354 3/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP11B2 P19099 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39

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
SCHEMBL9279114 0.86 KDM4E (0.44) PDE4BKDM4EALDH1A1KMT2AMEN1
SCHEMBL18816905 0.85 RAB9A (0.53) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL1290672 0.79 KDM4E (0.41) NR4A2KDM4EMAPTALDH1A1KMT2A
SCHEMBL23888976 0.78 PLAT (0.49) NR4A2KDM4EMAPTALDH1A1KMT2A
SCHEMBL25367327 0.78 CYP11B2 (0.47) NR4A2KDM4EMAPTALDH1A1KMT2A
SCHEMBL21893906 0.75 PDE4B (0.33) PDE4BMAPTKMT2AMEN1NPC1
SCHEMBL1863799 0.73 NPC1 (0.58) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL15232211 0.73 ALDH1A1 (0.44) NR4A2KDM4EALDH1A1KMT2AMEN1
SCHEMBL17437961 0.72 SPR (0.44) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL18137295 0.72 NPC1 (0.49) NR4A2KDM4EMAPTALDH1A1KMT2A

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
WO-2012072512-A1 N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-07 WO disclosed
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 PDE4B 295/4885NR4A2 677/4885KDM4E 1276/4885

“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.