SCHEMBL251608

SCHEMBL251608

O=c1ccc2ccc(OCCCCBr)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.52
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47

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
SCHEMBL29433197 1.00 DRD2 (0.52) DRD2DRD4DRD3ACHEMAOB
SCHEMBL30546624 0.95 DRD2 (0.50) DRD2DRD4DRD3ACHEMAOB
SCHEMBL253309 0.95 DRD2 (0.50) DRD2DRD4DRD3ACHEMAOB
SCHEMBL30712216 0.92 DRD2 (0.57) DRD2DRD4DRD3ACHEMAOB
SCHEMBL19732216 0.92 DRD2 (0.57) DRD2DRD4DRD3ACHEMAOB
SCHEMBL29943859 0.91 ACHE (0.49) DRD2DRD4DRD3ACHEMAOB
SCHEMBL17842570 0.91 ACHE (0.49) DRD2DRD4DRD3ACHEMAOB
SCHEMBL7802190 0.90 PDE3B (0.51) DRD2DRD4DRD3
SCHEMBL14188966 0.88 DRD2 (0.53) DRD2DRD4DRD3ACHEMAOB
SCHEMBL1239422 0.88 PDE3B (0.50) DRD2DRD4DRD3

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114166960-B Method for detecting substances related to epipiprazole 西安远大科创医药科技有限公司 2023-09-29 CN claimed
US-20250109139-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2025-04-03 US disclosed
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
CN-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN disclosed
CN-117214336-A Method for detecting epipiprazole, intermediate and impurity 湖南省湘中制药有限公司 2023-12-12 CN disclosed
WO-2023143393-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2023-08-03 WO disclosed
CN-116514824-A Tri-ring compound, preparation method and application thereof 上海科技大学 2023-08-01 CN 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-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
US-20080103154-A1 3, 4-dihydro-2(IH)-quinolinone and 2(1H)-quinolinone derivatives CONCERT PHARMACEUTICALS INC. (US) 2008-05-01 US disclosed
US-20080103154-A1 3, 4-dihydro-2(IH)-quinolinone and 2(1H)-quinolinone derivatives CONCERT PHARMACEUTICALS INC. (US) 2008-05-01 US 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 (4 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-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 DRD2 327/4885DRD4 791/4885DRD3 801/4885
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 DRD2 1/4885DRD4 41/4885DRD3 12/4885
US-20080103154-A1 3, 4-dihydro-2(IH)-quinolinone and 2(1H)-quinolinone derivatives SLC6A3, HTR2C, AQP4 DRD2 87/4885DRD4 97/4885DRD3 175/4885
US-20250109139-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF PARK7, HADH, BDNF DRD2 458/4885DRD4 528/4885DRD3 971/4885

“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.