SCHEMBL3618429

SCHEMBL3618429

BrCCCOCc1ccn2nccc2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.35
DRD2 P14416 6/20 0.33
DRD4 P21917 6/20 0.33
DRD3 P35462 6/20 0.33
DRD1 P21728 5/20 0.33
HTR2A P28223 5/20 0.33
MET P08581 2/20 0.32
NAAA Q02083 1/20 0.32
DRD5 P21918 2/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL24215352 0.76 SCN5A (0.40) SCN5ADRD2DRD4DRD3DRD1
SCHEMBL3616028 0.74 DRD2 (0.51) SCN5ADRD2DRD4DRD3DRD1
SCHEMBL3613355 0.70 DRD2 (0.70) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3086304 0.67 MET (0.40) SCN5AMETPIK3CD
SCHEMBL281251 0.67 TSHR (0.58) NAAA
SCHEMBL25776887 0.66 CYP3A4 (0.53) NAAA
SCHEMBL24991328 0.66 IDO1 (0.53) NAAA
SCHEMBL23691876 0.66 SCN5A (0.40) SCN5ADRD2DRD4DRD3DRD1
SCHEMBL7962760 0.66 TSHR (0.56) NAAA
SCHEMBL7229152 0.64 MAOB (0.39) DRD4

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 SCN5A 665/4885DRD2 123/4885DRD4 133/4885

“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.