SCHEMBL13630460

SCHEMBL13630460

O=C(N[C@H]1CC[C@H](CCN2CC=C(c3ccc(F)cc3F)CC2)CC1)C1=CCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.40
DRD2 P14416 12/20 0.40
HTR2A P28223 7/20 0.40
ACKR3 P25106 3/20 0.39
HTR1D P28221 2/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL13630474 0.90 DRD2 (0.45) DRD3DRD2
SCHEMBL14346738 0.90 DRD2 (0.45) DRD3DRD2
SCHEMBL13630405 0.83 DRD2 (0.57) DRD3DRD2
SCHEMBL13630228 0.81 DRD3 (0.49) DRD3DRD2HTR2AADRA1B
SCHEMBL14346887 0.81 DRD2 (0.43) DRD3DRD2
SCHEMBL13630288 0.80 DRD3 (0.49) DRD3DRD2HTR2A
SCHEMBL14347005 0.79 DRD3 (0.49) DRD3DRD2HTR2AADRA1B
SCHEMBL13629908 0.79 DRD3 (0.49) DRD3DRD2HTR2AADRA1B
SCHEMBL4491127 0.79 HTR1D (0.44) DRD3DRD2ACKR3HTR1DADRA1D
SCHEMBL13629909 0.78 DRD2 (0.42) DRD3DRD2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 DRD3 1/4885DRD2 4/4885HTR2A 225/4885

“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.