SCHEMBL2318667

SCHEMBL2318667

COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3sc(=O)[nH]c3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.68
DRD3 P35462 11/20 0.68
DRD4 P21917 8/20 0.68
HTR1A P08908 5/20 0.68
ADRA2A P08913 4/20 0.68
ADRA1D P25100 3/20 0.68
ADRA1A P35348 3/20 0.68
ADRA1B P35368 3/20 0.68
DRD1 P21728 2/20 0.68
HTR2A P28223 2/20 0.68
HTR2C P28335 2/20 0.68
HTR2B P41595 2/20 0.68
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68

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
SCHEMBL30080703 1.00 DRD2 (0.68) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL30080715 0.95 DRD2 (0.70) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL2320789 0.95 DRD2 (0.70) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL2318865 0.83 DRD2 (0.69) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL14006094 0.83 DRD2 (0.78) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL2314544 0.82 DRD2 (0.69) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL2314736 0.82 MAPT (0.60) DRD2DRD3DRD4ADRA1ATP53
SCHEMBL7342827 0.81 DRD2 (0.81) DRD2DRD3DRD4HTR1AADRA2A
Bp-897 SCHEMBL2125882 0.81 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL7528464 0.81 DRD2 (0.79) DRD2DRD3DRD4HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN 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 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
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN disclosed
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.