SCHEMBL252278

SCHEMBL252278

O=C1COc2c(cccc2N2CCNCC2)N1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.60
DRD3 P35462 3/20 0.60
DRD4 P21917 2/20 0.60
HTR1A P08908 4/20 0.57
HTR6 P50406 3/20 0.52
ADRB1 P08588 3/20 0.51
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
SLC6A4 P31645 2/20 0.44
KCNH2 Q12809 2/20 0.44
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3401653 0.83 ADRB1 (0.51) DRD2DRD3DRD4HTR1AHTR6
SCHEMBL4950292 0.78 DRD2 (0.51) DRD2DRD3DRD4HTR1AHTR6
SCHEMBL3680522 0.77 HTR6 (0.61) DRD2DRD3DRD4HTR1AHTR6
SCHEMBL792117 0.76 DRD2 (0.63) DRD2DRD3DRD4HTR1AHTR6
SCHEMBL13533082 0.76 ADRB1 (0.56) DRD2DRD3HTR1AHTR6ADRB1
SCHEMBL13672075 0.75 DRD2 (0.53) DRD2DRD3DRD4HTR1AHTR6
SCHEMBL6775975 0.75 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR6
SCHEMBL5480657 0.75 ADRB1 (0.63) DRD2DRD3HTR1AHTR6ADRB1
SCHEMBL6775978 0.75 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR6
SCHEMBL13672065 0.74 DRD2 (0.53) DRD2DRD3DRD4HTR1AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 DRD2 1/4885DRD3 12/4885DRD4 41/4885

“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.