SCHEMBL13630262

SCHEMBL13630262

COc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CCCC#N)CC3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.63
DRD3 P35462 9/20 0.63
CACNA1G O43497 2/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
HTR1A P08908 5/20 0.52
DRD4 P21917 3/20 0.52
HTR2B P41595 3/20 0.52
HTR2A P28223 5/20 0.51
HTR2C P28335 2/20 0.51
DRD1 P21728 1/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 1/20 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
SCHEMBL4478529 1.00 DRD2 (0.63) DRD2DRD3CACNA1GMTNR1AMTNR1B
SCHEMBL13630265 0.95 DRD2 (0.65) DRD2DRD3CACNA1GMTNR1AMTNR1B
SCHEMBL4492292 0.95 DRD2 (0.65) DRD2DRD3CACNA1GMTNR1AMTNR1B
SCHEMBL4482724 0.92 DRD2 (0.54) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL13630235 0.92 DRD2 (0.54) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL4495114 0.92 DRD2 (0.53) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL13630412 0.92 DRD2 (0.53) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL4494995 0.90 DRD2 (0.60) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL13630473 0.90 DRD2 (0.60) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL13630051 0.90 CHRM4 (0.57) DRD2DRD3HTR1ADRD4HTR2B

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 DRD2 4/4885DRD3 1/4885CACNA1G 2326/4885

“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.