SCHEMBL3399727

SCHEMBL3399727

O=C1CCc2ccc(OCCCCN3CCCN(c4cccc5cccnc45)CC3)nc2N1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.75
HTR1A P08908 16/20 0.75
HTR2A P28223 16/20 0.75
DRD1 P21728 1/20 0.75
DRD4 P21917 1/20 0.75
DRD5 P21918 1/20 0.75
HTR2C P28335 1/20 0.75
DRD3 P35462 1/20 0.75
HTR2B P41595 1/20 0.75

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
SCHEMBL5375822 0.97 DRD2 (0.77) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL252469 0.90 DRD2 (0.72) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL3396741 0.89 DRD2 (0.76) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL3399721 0.88 DRD2 (0.93) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL6103085 0.87 DRD2 (0.69) DRD2HTR1AHTR2A
SCHEMBL5371757 0.87 DRD2 (0.73) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL6101956 0.87 DRD2 (0.68) DRD2HTR1AHTR2A
SCHEMBL253851 0.86 DRD2 (0.93) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL3405426 0.86 DRD2 (0.72) DRD2HTR1AHTR2ADRD1DRD4
SCHEMBL253127 0.86 DRD2 (0.77) DRD2HTR1AHTR2ADRD1DRD4

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-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
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 1/4885HTR1A 95/4885HTR2A 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.