SCHEMBL6221968

SCHEMBL6221968

NCCc1ccc(CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.72
DRD2 P14416 3/20 0.58
HTR1A P08908 1/20 0.58
CYP2D6 P10635 1/20 0.57
DRD3 P35462 2/20 0.56
SIGMAR1 Q99720 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53

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
SCHEMBL1711188 0.87 DRD4 (0.77) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL5986956 0.87 DRD4 (0.77) DRD4DRD2HTR1ACYP2D6DRD3
Dopamine SCHEMBL6032806 0.85 DRD4 (0.60) DRD4DRD2HTR1ACYP2D6DRD3
SCHEMBL6031812 0.84 DRD4 (1.00) DRD4DRD2HTR1ADRD3SIGMAR1
SCHEMBL28155449 0.84 DRD4 (0.72) DRD4DRD2HTR1ADRD3SIGMAR1
SCHEMBL4649494 0.81 DRD4 (0.87) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL22532699 0.81 DRD4 (0.79) DRD4DRD2HTR1ADRD3SIGMAR1
SCHEMBL12861757 0.81 DRD4 (0.79) DRD4DRD2HTR1ADRD3SIGMAR1
SCHEMBL13959204 0.80 HTR1A (0.71) DRD4DRD2HTR1ASIGMAR1ADRA1D
SCHEMBL3242189 0.80 DRD4 (0.77) DRD4DRD2HTR1ADRD3SIGMAR1

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
CN-1678591-A Novel carboxamide compounds having MCH-antagonistic action, pharmaceutical preparations comprising said compounds and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2005-10-05 CN disclosed
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 EP disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R DRD4 416/4885DRD2 286/4885HTR1A 71/4885

“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.