SCHEMBL3397008

SCHEMBL3397008

O=C1NCCc2ccc(OCCCCBr)cc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.53
PARP10 Q53GL7 7/20 0.52
PARP1 P09874 6/20 0.52
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
PARP11 Q9NR21 2/20 0.43
PDPK1 O15530 1/20 0.43
BRD4 O60885 1/20 0.43
KCNA5 P22460 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41

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
SCHEMBL247155 0.96 PARP10 (0.54) DRD2PARP10PARP1F7F3
SCHEMBL1038435 0.88 DRD2 (0.57) DRD2PARP10PARP1F7F3
SCHEMBL1037269 0.86 DRD2 (0.56) DRD2PARP10PARP1F7F3
SCHEMBL980358 0.80 HRH3 (0.63) BRD4HRH3
SCHEMBL5106942 0.80 HRH3 (0.70) DRD2HRH3
SCHEMBL5101073 0.79 HRH3 (0.72) DRD2HRH3
SCHEMBL30199237 0.77 MAOB (0.60) DRD2PARP10PARP1F7F3
SCHEMBL29098025 0.77 MAOB (0.60) DRD2PARP10PARP1F7F3
SCHEMBL6631521 0.77 DRD2 (0.48) DRD2PARP10PARP1F7F3
SCHEMBL4500140 0.77 PARP1 (0.50) DRD2PARP10PARP1F7F3

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-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 1/4885PARP10 3084/4885PARP1 4324/4885

“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.