SCHEMBL253679

SCHEMBL253679

COc1ccccc1N1CCN(CCCNc2ccc3[nH]c(=O)[nH]c3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.67
ADRA1A P35348 4/20 0.61
HTR1A P08908 4/20 0.61
MAPT P10636 2/20 0.61
CYP3A4 P08684 2/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
DRD3 P35462 2/20 0.61
LMNA P02545 1/20 0.61
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
SLC6A4 P31645 1/20 0.61
CYP2C19 P33261 1/20 0.61
HRH1 P35367 1/20 0.61
HTR2B P41595 1/20 0.61
PDE3A Q14432 1/20 0.61

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
SCHEMBL252083 0.97 DRD2 (0.66) DRD2ADRA1AHTR1AMAPTCYP3A4
SCHEMBL253846 0.84 DRD2 (0.90) DRD2ADRA1ADRD3SLC6A4DRD4
SCHEMBL252086 0.83 DRD2 (0.88) DRD2ADRA1AMAPTDRD3LMNA
SCHEMBL252085 0.82 HTR1A (0.60) DRD2ADRA1AHTR1AMAPTCYP3A4
SCHEMBL3397164 0.82 DRD2 (0.71) DRD2ADRA1AHTR1ADRD3SLC6A4
SCHEMBL11679210 0.82 LMNA (0.66) DRD2ADRA1AHTR1AMAPTCYP3A4
SCHEMBL3396554 0.81 HTR1A (0.62) DRD2ADRA1AHTR1AMAPTCYP3A4
SCHEMBL11676934 0.81 HTR1A (0.68) DRD2ADRA1AHTR1AMAPTCYP3A4
SCHEMBL11676714 0.81 HTR1A (0.64) DRD2ADRA1AHTR1AMAPTCYP3A4
SCHEMBL26880831 0.81 DRD2 (0.67) DRD2ADRA1AHTR1AMAPTCYP3A4

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 DRD2 1/4885ADRA1A 113/4885HTR1A 95/4885

“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.