SCHEMBL253846

SCHEMBL253846

COc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=O)[nH]c3c2)CC1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.90
DRD3 P35462 6/20 0.78
DRD4 P21917 5/20 0.78
SLC6A2 P23975 2/20 0.70
SLC6A4 P31645 2/20 0.70
DRD1 P21728 1/20 0.69
ADRA1A P35348 1/20 0.64

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
SCHEMBL252086 0.97 DRD2 (0.88) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL3654118 0.88 DRD2 (0.74) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL10664987 0.88 DRD2 (1.00) DRD2DRD3DRD4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3661243 0.88 DRD2 (0.73) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL13532791 0.85 DRD2 (0.94) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL466948 0.84 DRD2 (0.71) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL253679 0.84 DRD2 (0.67) DRD2DRD3DRD4SLC6A4ADRA1A
SCHEMBL11218481 0.84 DRD2 (0.89) DRD2DRD3DRD1
SCHEMBL252083 0.83 DRD2 (0.66) DRD2DRD3DRD4SLC6A4ADRA1A
SCHEMBL3410913 0.82 DRD2 (1.00) DRD2DRD3DRD4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 WO claimed
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
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.