SCHEMBL252085

SCHEMBL252085

COc1ccccc1N1CCN(CCCNc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.60
DRD2 P14416 8/20 0.56
HTR2A P28223 4/20 0.56
HTR7 P34969 4/20 0.56
HTR6 P50406 4/20 0.56
DRD3 P35462 4/20 0.56
ADRA1A P35348 3/20 0.56
MAPT P10636 2/20 0.54
ADRA2A P08913 2/20 0.54
LMNA P02545 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL252298 0.97 HTR1A (0.61) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL252898 0.84 SLC6A2 (0.74) DRD2DRD3ADRA1ASLC6A4DRD4
SCHEMBL253284 0.83 SLC6A2 (0.74) DRD2DRD3ADRA1AMAPTLMNA
SCHEMBL253679 0.82 DRD2 (0.67) HTR1ADRD2HTR7DRD3ADRA1A
SCHEMBL252200 0.82 DRD2 (0.71) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11679210 0.80 LMNA (0.66) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3396554 0.80 HTR1A (0.62) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL252083 0.80 DRD2 (0.66) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11676934 0.79 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11676714 0.79 HTR1A (0.64) 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 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 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.