SCHEMBL246427

SCHEMBL246427

Cc1ccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.66
HTR2A P28223 10/20 0.66
HTR1A P08908 9/20 0.66
DRD3 P35462 2/20 0.58
HTR3E A5X5Y0 1/20 0.57
MEN1 O00255 1/20 0.57
MLNR O43193 1/20 0.57
HTR3B O95264 1/20 0.57
ABCB11 O95342 1/20 0.57
ESR1 P03372 1/20 0.57
PGR P06401 1/20 0.57
ADRB2 P07550 1/20 0.57
CHRM2 P08172 1/20 0.57
ABCB1 P08183 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
GAA P10253 1/20 0.57
AR P10275 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL28621606 0.86 DRD2 (0.58) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL3402701 0.85 DRD2 (0.68) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL182966 0.85 DRD2 (0.57) DRD2HTR2AHTR1ADRD3DRD1
SCHEMBL14494805 0.84 DRD2 (0.56) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL28490438 0.84 DRD2 (0.66) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL14494782 0.84 DRD2 (0.58) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL3401292 0.83 DRD2 (0.69) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL247493 0.80 DRD2 (1.00) DRD2HTR2AHTR1A
SCHEMBL4244520 0.78 DRD2 (0.67) DRD2HTR2AHTR1ADRD3HTR3E
SCHEMBL14494809 0.78 DRD2 (0.66) DRD2HTR2AHTR1ADRD3HTR3E

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-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
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 1/4885HTR2A 56/4885HTR1A 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.