SCHEMBL252298

SCHEMBL252298

COc1ccccc1N1CCN(CCCCNc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.61
DRD2 P14416 8/20 0.61
HTR2A P28223 4/20 0.61
HTR7 P34969 3/20 0.61
HTR6 P50406 3/20 0.61
ADRA1A P35348 4/20 0.60
DRD3 P35462 4/20 0.60
HRH4 Q9H3N8 1/20 0.56
ADRA2A P08913 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
ADRA1D P25100 1/20 0.53

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
SCHEMBL252085 0.97 HTR1A (0.60) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL253284 0.85 SLC6A2 (0.74) DRD2ADRA1ADRD3LMNADRD4
SCHEMBL252898 0.83 SLC6A2 (0.74) DRD2ADRA1ADRD3DRD4
SCHEMBL252083 0.83 DRD2 (0.66) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL254909 0.82 DRD2 (0.72) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL253679 0.80 DRD2 (0.67) HTR1ADRD2HTR7ADRA1ADRD3
SCHEMBL252277 0.79 DRD2 (0.67) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL252200 0.79 DRD2 (0.71) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL253122 0.78 DRD2 (0.51) HTR1ADRD2HTR2A
SCHEMBL11679210 0.77 LMNA (0.66) HTR1ADRD2HTR2AHTR7HTR6

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 HTR1A 95/4885DRD2 1/4885HTR2A 56/4885

“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.