SCHEMBL2318622

SCHEMBL2318622

Cc1ccc(Cl)cc1N1CCN(C/C=C/CNC(=O)c2ccc3[nH]c(=O)oc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.51
DRD3 P35462 16/20 0.51
DRD4 P21917 2/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 3/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
ENPP2 Q13822 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2316307 0.93 DRD2 (0.55) DRD2DRD3DRD4ALDH1A1KMT2A
SCHEMBL2319168 0.84 DRD3 (0.67) DRD2DRD3DRD4ENPP2TP53
SCHEMBL2318577 0.83 DRD3 (0.65) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL2314680 0.80 DRD2 (0.48) DRD2DRD3DRD4ALDH1A1KMT2A
SCHEMBL30080705 0.80 DRD2 (0.52) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL30080729 0.79 DRD2 (0.51) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL2315158 0.78 DRD3 (0.77) DRD2DRD3DRD4TP53MAPT
SCHEMBL29462329 0.78 DRD3 (0.77) DRD2DRD3DRD4TP53MAPT
SCHEMBL2315261 0.77 DRD3 (0.64) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9987524 0.74 DRD2 (0.55) DRD2DRD3DRD4ALDH1A1KMT2A

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 10 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-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 DRD2 2/4885DRD3 1/4885DRD4 6/4885
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 DRD2 2/4885DRD3 1/4885DRD4 6/4885

“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.