SCHEMBL2318577

SCHEMBL2318577

COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc3[nH]c(=O)oc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.65
DRD1 P21728 2/20 0.65
DRD2 P14416 18/20 0.65
HTR1A P08908 2/20 0.65
HTR2A P28223 2/20 0.65
HTR2C P28335 2/20 0.65
DRD4 P21917 3/20 0.59

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
SCHEMBL2315261 0.94 DRD3 (0.64) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL2316907 0.84 DRD3 (0.66) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL2314544 0.84 DRD2 (0.69) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL30080724 0.84 DRD3 (0.66) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL2318622 0.83 DRD2 (0.51) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL30080769 0.81 DRD3 (0.73) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL3074036 0.79 DRD3 (1.00) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL3074040 0.79 DRD3 (1.00) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL2318865 0.78 DRD2 (0.69) DRD3DRD1DRD2HTR1AHTR2A
SCHEMBL10986725 0.78 HTR1A (0.67) DRD1DRD2HTR1AHTR2AHTR2C

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354136-B1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INST PHARM & TOXICOLOGY AMMS (CN) 2016-02-24 EP claimed
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A. CHINA (CN) 2014-11-06 US claimed
US-8829001-B2 Dopamine D3 receptor ligands and preparation and medical uses of the same The Institute of Pharmacology and Toxicology Academy of Military Medical Science P.L.A. China (CN) 2014-09-09 US claimed
US-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME Institute of Pharmacology and Toxicology Academy of Military Medical Science, P.L.A (CN) 2011-12-29 US claimed
EP-2354136-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS, THE PREPARATION AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2011-08-10 EP claimed
EP-2354136-B1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INST PHARM & TOXICOLOGY AMMS (CN) 2016-02-24 EP disclosed
US-9227944-B2 Dopamine D3 receptor ligands and preparation and medical uses of the same INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY SCIENCE P.L.A. CHINA (CN) 2016-01-05 US disclosed
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A. CHINA (CN) 2014-11-06 US disclosed
US-8829001-B2 Dopamine D3 receptor ligands and preparation and medical uses of the same The Institute of Pharmacology and Toxicology Academy of Military Medical Science P.L.A. China (CN) 2014-09-09 US disclosed
US-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME Institute of Pharmacology and Toxicology Academy of Military Medical Science, P.L.A (CN) 2011-12-29 US disclosed
EP-2354136-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS, THE PREPARATION AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2011-08-10 EP 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 (2 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-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 DRD3 1/4885DRD1 5/4885DRD2 2/4885
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 DRD3 1/4885DRD1 5/4885DRD2 2/4885

“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.