SCHEMBL13809558

SCHEMBL13809558

O=C(NCCCCN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.58
DRD2 P14416 10/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ADRA1A P35348 5/20 0.51
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 2/20 0.47
DRD4 P21917 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL13809552 0.90 ADRA1A (0.59) DRD3DRD2ADRA1AHTR1ADRD4
SCHEMBL13809557 0.90 ADRA1A (0.64) DRD3DRD2ALDH1A1SMN1; SMN2ADRA1A
SCHEMBL13809547 0.87 DRD3 (0.59) DRD3DRD2ADRA1AHTR1ADRD4
SCHEMBL13809560 0.87 ADRA1A (0.55) DRD3DRD2ADRA1ATSHRHTR1A
SCHEMBL13809543 0.85 DRD3 (0.60) DRD3DRD2ADRA1ADRD4
SCHEMBL13809551 0.84 ADRA1A (0.68) DRD3DRD2ADRA1AHTR1ADRD4
SCHEMBL4301030 0.83 ADRA1A (0.54) DRD3DRD2ADRA1AHTR1ADRD4
SCHEMBL13809540 0.82 ADRA1A (0.53) DRD3DRD2ADRA1AHTR1ADRD4
SCHEMBL13809556 0.81 ADRA1A (0.53) DRD3DRD2ADRA1A
SCHEMBL13809564 0.81 ADRA1A (0.57) DRD3DRD2ALDH1A1ADRA1AHTR1A

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 DRD3 1/4885DRD2 2/4885ALDH1A1 1575/4885

“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.