SCHEMBL3845753

SCHEMBL3845753

O=[N+]([O-])c1cccc(N2CCN(CCC3CCC4(CC3)OCCO4)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR7 P34969 1/20 0.45
DRD2 P14416 4/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL3844088 0.83 ADRA2C (0.45) MAPTALDH1A1HTR7DRD2DRD3
SCHEMBL3845098 0.80 DRD2 (0.48) HTR7DRD2DRD4DRD3HTR1A
SCHEMBL3848690 0.80 KMO (0.50) MEN1KMT2AALDH1A1HTR7DRD2
SCHEMBL3849898 0.80 DRD2 (0.58) MAPTALDH1A1HTR7DRD2DRD3
SCHEMBL3846469 0.80 HTR7 (0.45) HTR7DRD2DRD3L3MBTL1
SCHEMBL3848039 0.80 ALDH1A1 (0.48) ALDH1A1HTR7DRD2DRD4DRD3
SCHEMBL17219787 0.78 DRD3 (0.41) HTR7DRD2DRD3HTR2A
SCHEMBL4496054 0.78 HTR1A (0.50) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL3846643 0.78 DRD2 (0.46) HTR7DRD2DRD3
SCHEMBL3844664 0.78 AGXT (0.42) HTR7DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP 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 MEN1 4444/4885MAPT 2805/4885KMT2A 2085/4885

“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.