SCHEMBL13630405

SCHEMBL13630405

O=C(N[C@H]1CC[C@H](CCN2CC=C(c3ccccc3)CC2)CC1)C1=CCCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.57
DRD3 P35462 6/20 0.57
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 2/20 0.46

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 0.88 DRD2 (0.45) DRD2DRD3
SCHEMBL14346738 0.88 DRD2 (0.45) DRD2DRD3
SCHEMBL9199501 0.87 DRD2 (0.67) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL9203036 0.87 DRD2 (0.67) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL9206102 0.87 DRD2 (0.67) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL14346887 0.83 DRD2 (0.43) DRD2DRD3
SCHEMBL13630460 0.83 DRD3 (0.40) DRD2DRD3
SCHEMBL9202136 0.82 DRD2 (0.67) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL9205095 0.82 DRD2 (0.67) DRD2DRD3KDM4EALDH1A1MAPT
SCHEMBL9202130 0.82 DRD2 (0.67) DRD2DRD3KDM4EALDH1A1MAPT

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-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
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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 DRD2 4/4885DRD3 1/4885KDM4E 1907/4885

“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.