SCHEMBL251586

SCHEMBL251586

O=C1CCc2ccc(OCCCCN3CCCN(c4ccccc4C(F)(F)F)CC3)cc2N1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.93
DRD4 P21917 5/20 0.72
DRD3 P35462 5/20 0.72
HTR1A P08908 2/20 0.72
DRD1 P21728 2/20 0.72
DRD5 P21918 2/20 0.72
HTR2A P28223 2/20 0.72
HTR2C P28335 2/20 0.72
HTR2B P41595 2/20 0.72
MAOA P21397 3/20 0.66
HTR3E A5X5Y0 1/20 0.66
MEN1 O00255 1/20 0.66
MLNR O43193 1/20 0.66
HTR3B O95264 1/20 0.66
ABCB11 O95342 1/20 0.66
ESR1 P03372 1/20 0.66
PGR P06401 1/20 0.66
ADRB2 P07550 1/20 0.66
CHRM2 P08172 1/20 0.66
ABCB1 P08183 1/20 0.66

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
SCHEMBL251472 0.85 DRD2 (1.00) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL250675 0.85 DRD2 (1.00) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL13532795 0.84 DRD2 (1.00) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL31608538 0.84 DRD2 (1.00) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL253164 0.84 DRD2 (1.00) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL252031 0.83 DRD2 (1.00) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL3258529 0.83 DRD2 (0.81) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL10574132 0.83 DRD2 (0.95) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL14984544 0.82 DRD2 (0.79) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL10572858 0.82 DRD2 (0.94) DRD2DRD4DRD3HTR1ADRD1

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 9 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-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

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 1/4885DRD4 41/4885DRD3 12/4885

“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.