SCHEMBL3843635

SCHEMBL3843635

FC(F)(F)c1cccc(N2CCN(CCC3CCNCC3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.64
DRD3 P35462 1/20 0.64
ALDH1A1 P00352 4/20 0.63
SIGMAR1 Q99720 3/20 0.63
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
HTR1D P28221 1/20 0.63
HTR2C P28335 1/20 0.63
HTR3A P46098 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
MAPT P10636 2/20 0.61
THRB P10828 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTR1A P08908 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL3844094 0.85 DRD2 (0.67) DRD2DRD3ALDH1A1SIGMAR1MAPT
SCHEMBL14624179 0.85 ADRA2C (0.51) DRD2DRD3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3844577 0.84 DRD2 (0.62) DRD2DRD3ALDH1A1SIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3845986 0.84 DRD2 (0.66) DRD2DRD3ALDH1A1SIGMAR1MAPT
Hydrochloric Acid SCHEMBL4075439 0.84 DRD2 (0.66) DRD2DRD3ALDH1A1SIGMAR1MAPT
SCHEMBL4502702 0.82 ALDH1A1 (0.65) DRD2DRD3ALDH1A1SIGMAR1MAPT
SCHEMBL17226503 0.82 DRD2 (0.63) DRD2DRD3ALDH1A1SIGMAR1MAPT
SCHEMBL17226513 0.82 DRD2 (0.63) DRD2DRD3ALDH1A1SIGMAR1HTR2C
SCHEMBL3849898 0.81 DRD2 (0.58) DRD2DRD3ALDH1A1SIGMAR1MAPT
SCHEMBL3866800 0.81 DRD2 (0.61) DRD2DRD3ALDH1A1SIGMAR1HTR2C

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 11 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
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
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
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
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO disclosed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP disclosed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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 1/4885ALDH1A1 243/4885

“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.