SCHEMBL4907586

SCHEMBL4907586

COc1ccccc1N1CCN(CCCCN(C(N)=O)c2cc3n(n2)CCCC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DRD2 P14416 3/20 0.48
DRD4 P21917 1/20 0.48
HTR1A P08908 6/20 0.48
HTR7 P34969 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 2/20 0.47
DRD3 P35462 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL4918473 0.99 KDM4E (0.49) KDM4EALDH1A1TDP1DRD2DRD4
SCHEMBL4915216 0.87 DRD2 (0.49) KDM4EALDH1A1TDP1DRD2DRD4
SCHEMBL4913367 0.84 DRD2 (0.48) DRD2DRD4HTR1AHTR7DRD3
SCHEMBL4919589 0.83 HTR1A (0.47) DRD2DRD4HTR1AHTR7DRD3
SCHEMBL4918606 0.82 KDM4E (0.51) KDM4EALDH1A1TDP1DRD2DRD4
SCHEMBL4918367 0.81 DRD2 (0.47) DRD2HTR1AHTR7DRD3
Trifluoroacetic Acid SCHEMBL4914505 0.80 DRD2 (0.44) DRD2DRD4HTR1AHTR7ADRA1A
SCHEMBL4907650 0.79 DRD2 (0.50) KDM4EALDH1A1TDP1DRD2DRD4
SCHEMBL4917921 0.79 DRD4 (0.60) KDM4EALDH1A1TDP1DRD2DRD4
SCHEMBL4916997 0.79 DRD2 (0.54) KDM4EALDH1A1TDP1DRD2DRD4

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 8 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
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP claimed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO claimed
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP disclosed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US disclosed
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO 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 KDM4E 776/4885ALDH1A1 459/4885TDP1 3602/4885

“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.