SCHEMBL13809604

SCHEMBL13809604

O=C(NCCCCN1CCCN(c2csc3cc(F)ccc23)CC1)c1cc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.68
DRD3 P35462 14/20 0.68
DRD4 P21917 8/20 0.68
ADRA1A P35348 4/20 0.62
HTR2A P28223 3/20 0.62
HTR1A P08908 3/20 0.62
ADRA1D P25100 3/20 0.62
ADRA1B P35368 3/20 0.62
DRD1 P21728 2/20 0.62
HTR2C P28335 2/20 0.62
HTR2B P41595 2/20 0.62
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57

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
SCHEMBL7824386 0.97 DRD2 (0.69) DRD2DRD3DRD4ADRA1AHTR2A
Maleic Acid SCHEMBL7831420 0.92 DRD2 (0.63) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL14508968 0.86 DRD2 (0.66) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL13809587 0.86 DRD2 (0.64) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL13809585 0.84 DRD3 (0.66) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL13809593 0.84 ADRA1A (0.60) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL13809592 0.84 DRD3 (0.66) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL7824678 0.83 ADRA1A (0.69) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL13809607 0.82 ADRA1A (0.63) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL13809602 0.81 DRD2 (0.60) DRD2DRD3DRD4ADRA1AHTR2A

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
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 DRD2 2/4885DRD3 1/4885DRD4 13/4885

“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.