SCHEMBL252588

SCHEMBL252588

Clc1cccc(C2CCN(CCCOc3ccc4cn[nH]c4c3)CC2)c1Cl

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.72
HTR1A P08908 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
MET P08581 1/20 0.43

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
SCHEMBL253848 0.97 DRD2 (0.72) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL14987798 0.86 DRD2 (0.68) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL253470 0.84 DRD2 (0.51) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL253514 0.83 DRD2 (1.00) DRD2HTR1AHTR2AHTR2BDRD3
SCHEMBL253400 0.83 DRD2 (0.51) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL251950 0.81 DRD2 (1.00) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL252062 0.80 DRD2 (0.93) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL253121 0.78 DRD2 (1.00) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL252276 0.78 DRD2 (0.93) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL15601738 0.77 DRD2 (0.87) DRD2HTR1AHTR2ADRD3SLC6A4

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
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
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.