SCHEMBL4913441

SCHEMBL4913441

COC(=O)c1c(N(CCCCN2CCN(c3ccccc3OC)CC2)C(N)=O)nn2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.54
DRD3 P35462 11/20 0.54
DRD4 P21917 11/20 0.54
HTR2A P28223 11/20 0.54
DRD1 P21728 9/20 0.54
HTR1A P08908 8/20 0.54
HTR2C P28335 7/20 0.54
HTR2B P41595 7/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
DRD5 P21918 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR7 P34969 5/20 0.49
HTR1D P28221 4/20 0.49
HTR1B P28222 4/20 0.49
HTR5A P47898 2/20 0.49
KCNH2 Q12809 2/20 0.48

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
SCHEMBL4908470 0.90 DRD2 (0.53) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4918371 0.88 HTR2A (0.53) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4918534 0.88 HTR2A (0.53) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4917921 0.75 DRD4 (0.60) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4916997 0.75 DRD2 (0.54) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4918170 0.75 DRD4 (0.59) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4906839 0.74 DRD2 (0.62) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4908005 0.74 DRD2 (0.53) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4915564 0.74 DRD2 (0.53) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4907650 0.74 DRD2 (0.50) DRD2DRD3DRD4HTR2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP claimed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US claimed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US 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-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 DRD2 248/4885DRD3 474/4885DRD4 166/4885

“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.