SCHEMBL13809587

SCHEMBL13809587

O=C(NCCCCN1CCCN(c2csc3cc(F)ccc23)CC1)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.64
DRD3 P35462 14/20 0.64
ADRA1A P35348 12/20 0.64
DRD4 P21917 5/20 0.60
HTR1A P08908 6/20 0.59
ADRA2A P08913 5/20 0.59
DRD1 P21728 2/20 0.59
ADRA1D P25100 2/20 0.59
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
ADRA1B P35368 2/20 0.59
HTR2B P41595 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59

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
SCHEMBL13809602 0.88 DRD2 (0.60) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809599 0.88 ADRA1A (0.60) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809596 0.88 ADRA1A (0.59) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL7817697 0.87 ADRA1A (0.73) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809604 0.86 DRD2 (0.68) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809541 0.86 ADRA1A (0.67) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809585 0.85 DRD3 (0.66) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809593 0.85 ADRA1A (0.60) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809592 0.85 DRD3 (0.66) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL13809559 0.84 ADRA1A (0.69) DRD2DRD3ADRA1ADRD4HTR1A

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 1/4885ADRA1A 313/4885

“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.