SCHEMBL4492906

SCHEMBL4492906

N#CCC(=O)NC1CCC(CCN2CC=C(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.47
DRD2 P14416 11/20 0.47
HTR2A P28223 6/20 0.44
KMT2A Q03164 1/20 0.39
HTR1A P08908 2/20 0.39
HTR7 P34969 1/20 0.38
CXCR3 P49682 1/20 0.38
HTR1D P28221 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
SCHEMBL13630548 1.00 DRD3 (0.47) DRD3DRD2HTR2AKMT2AHTR1A
SCHEMBL13630044 0.95 DRD3 (0.49) DRD3DRD2HTR2AKMT2ACXCR3
SCHEMBL4489958 0.95 DRD3 (0.49) DRD3DRD2HTR2AKMT2ACXCR3
SCHEMBL4490607 0.90 DRD3 (0.44) DRD3DRD2HTR2AHTR1AHTR7
SCHEMBL13630549 0.90 DRD3 (0.44) DRD3DRD2HTR2AHTR1AHTR7
SCHEMBL4490569 0.89 DRD2 (0.49) DRD3DRD2HTR2AKMT2A
SCHEMBL13630435 0.89 DRD2 (0.49) DRD3DRD2HTR2AKMT2A
SCHEMBL4491759 0.88 DRD3 (0.49) DRD3DRD2HTR2AHTR7
SCHEMBL13629934 0.88 DRD3 (0.49) DRD3DRD2HTR2AHTR7
SCHEMBL13630258 0.87 DRD2 (0.50) DRD3DRD2HTR2AKMT2AHTR1A

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 4 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 claimed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 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.