SCHEMBL4933950

SCHEMBL4933950

CCOC(=O)CCCCCN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.54
DRD2 P14416 7/20 0.53
HTR1A P08908 8/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 2/20 0.50
HTR2A P28223 4/20 0.49

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
SCHEMBL4687871 0.83 DRD2 (0.58) DRD4DRD2HTR1AADRA1DADRA1A
SCHEMBL4935832 0.83 DRD2 (0.58) DRD4DRD2HTR1AADRA1DADRA1A
SCHEMBL11029655 0.83 HTR1A (0.68) DRD2HTR1ADRD3HTR2A
SCHEMBL11086815 0.83 HTR1A (0.68) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL11089984 0.82 HTR1A (0.67) DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL11082872 0.82 HTR1A (0.67) DRD2HTR1ADRD3HTR2A
SCHEMBL11080260 0.82 HTR1A (0.67) DRD4DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL11083772 0.81 HTR1A (0.66) DRD2HTR1ADRD3HTR2A
SCHEMBL11080291 0.81 ADRA1A (0.58) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL11086388 0.81 ADRA1A (0.58) DRD2HTR1AADRA1DADRA1AADRA1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 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-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR DRD4 26/4885DRD2 8/4885HTR1A 88/4885

“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.