SCHEMBL3618652

SCHEMBL3618652

BrCCCCOc1ccc2ccnn2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.50
DRD4 P21917 8/20 0.50
DRD3 P35462 8/20 0.50
DRD1 P21728 4/20 0.50
HTR2A P28223 4/20 0.50
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNA3 P22001 1/20 0.33
NOS1 P29475 2/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30496653 0.83 DRD2 (0.43) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL24567001 0.79 DRD2 (0.54) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3616028 0.77 DRD2 (0.51) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL25421011 0.77 DRD2 (0.45) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL25417508 0.76 DRD2 (0.46) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL25417109 0.75 DRD2 (0.58) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL30175354 0.73 DRD2 (0.43) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL31487889 0.73 MAOB (0.47) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL22747327 0.73 NPC1 (0.56) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL11615899 0.71 KCNA3 (0.55) DRD3DRD1HTR2ACYP2D6KCNA3

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 DRD2 123/4885DRD4 133/4885DRD3 230/4885

“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.