SCHEMBL3617401

SCHEMBL3617401

COC(=O)c1cnn2ccc(OCCCCBr)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 2/20 0.44
DRD2 P14416 7/20 0.44
DRD4 P21917 7/20 0.44
DRD3 P35462 7/20 0.44
ROCK1 Q13464 3/20 0.42
PLA2G4A P47712 1/20 0.39
DRD1 P21728 3/20 0.39
HTR2A P28223 3/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
STING1 Q86WV6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL20195815 0.93 EPHB3 (0.46) EPHB3DRD2DRD4DRD3ROCK1
SCHEMBL3615271 0.88 ROCK1 (0.43) EPHB3DRD2DRD4DRD3ROCK1
SCHEMBL17321352 0.87 EPHB3 (0.47) EPHB3DRD2DRD4DRD3ROCK1
SCHEMBL15897859 0.83 DRD2 (0.50) EPHB3DRD2DRD4DRD3ROCK1
SCHEMBL3612887 0.81 EPHB3 (0.61) EPHB3DRD2DRD4DRD3LMNA
SCHEMBL15882227 0.79 EPHB3 (0.56) EPHB3DRD2DRD4DRD3ROCK1
SCHEMBL3614231 0.79 EPHB3 (0.66) EPHB3DRD2DRD4DRD3ROCK1
SCHEMBL19675130 0.78 HSD17B10 (0.47) EPHB3DRD2DRD4DRD3ROCK1
SCHEMBL19786566 0.77 EPHB3 (0.44) EPHB3LMNAMAPTSTING1KDM4E
SCHEMBL15882056 0.77 DRD2 (0.47) EPHB3DRD2DRD4DRD3ROCK1

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 2529/4885DRD2 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.