SCHEMBL4915564

SCHEMBL4915564

COc1ccccc1N1CCN(CCCCN(C(N)=O)c2ccn3ncc(Br)c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.53
DRD4 P21917 19/20 0.53
DRD3 P35462 19/20 0.53
DRD1 P21728 12/20 0.53
HTR2A P28223 11/20 0.53
HTR1A P08908 3/20 0.53
ADRA1D P25100 3/20 0.53
HTR2C P28335 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
HTR2B P41595 3/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 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
SCHEMBL4908005 0.91 DRD2 (0.53) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4906839 0.85 DRD2 (0.62) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL3608123 0.79 DRD2 (0.77) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4918371 0.79 HTR2A (0.53) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4915561 0.77 DRD2 (0.63) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4913177 0.77 DRD2 (0.50) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL5505000 0.76 DRD2 (0.64) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4914339 0.76 DRD2 (0.50) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4917921 0.76 DRD4 (0.60) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4916997 0.76 DRD2 (0.54) DRD2DRD4DRD3DRD1HTR2A

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 248/4885DRD4 166/4885DRD3 474/4885

“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.