SCHEMBL13809593

SCHEMBL13809593

Cn1c(C(=O)NCCCCN2CCCN(c3csc4cc(F)ccc34)CC2)cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.60
DRD3 P35462 9/20 0.55
DRD2 P14416 8/20 0.55
HTR2A P28223 5/20 0.55
HTR1A P08908 3/20 0.55
HTR2C P28335 3/20 0.55
DRD4 P21917 9/20 0.50
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD1 P21728 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 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
SCHEMBL13809587 0.85 DRD2 (0.64) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL13809604 0.84 DRD2 (0.68) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL13809585 0.83 DRD3 (0.66) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL13809592 0.83 DRD3 (0.66) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL13809607 0.81 ADRA1A (0.63) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL7824386 0.81 DRD2 (0.69) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL13809601 0.80 ADRA1A (0.58) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL13809602 0.80 DRD2 (0.60) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL7817697 0.80 ADRA1A (0.73) ADRA1ADRD3DRD2HTR2AHTR1A
SCHEMBL7824411 0.80 ADRA1A (0.70) ADRA1ADRD3DRD2HTR2AHTR1A

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 ADRA1A 313/4885DRD3 1/4885DRD2 2/4885

“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.