SCHEMBL2320328

SCHEMBL2320328

COc1ccccc1N1CCN(CC=CCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.69
DRD3 P35462 4/20 0.69
ALDH1A1 P00352 2/20 0.69
ADRA1D P25100 2/20 0.69
ADRA1A P35348 2/20 0.69
ADRA1B P35368 2/20 0.69
MEN1 O00255 1/20 0.69
CYP3A4 P08684 1/20 0.69
HTR1A P08908 1/20 0.69
CYP2D6 P10635 1/20 0.69
ALOX12 P18054 1/20 0.69
HTR7 P34969 1/20 0.69
KMT2A Q03164 1/20 0.69
HIF1A Q16665 1/20 0.69
HSD17B10 Q99714 1/20 0.69
KDM4E B2RXH2 1/20 0.67
GLA P06280 1/20 0.67
HPGD P15428 1/20 0.67

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
SCHEMBL30080702 1.00 DRD2 (0.69) DRD2DRD3ALDH1A1ADRA1DADRA1A
SCHEMBL8562790 1.00 DRD2 (0.69) DRD2DRD3ALDH1A1ADRA1DADRA1A
SCHEMBL2320320 1.00 DRD2 (0.69) DRD2DRD3ALDH1A1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL8565266 0.98 DRD2 (0.66) DRD2DRD3ALDH1A1ADRA1DADRA1A
SCHEMBL14761789 0.85 DRD2 (0.75) DRD2DRD3ALDH1A1ADRA1DADRA1A
SCHEMBL7668612 0.84 DRD2 (0.86) DRD2DRD3ALDH1A1ADRA1DADRA1A
Nan-190 SCHEMBL30080779 0.81 HTR1A (1.00) DRD2DRD3ALDH1A1ADRA1DADRA1A
Nan-190 SCHEMBL29389115 0.81 HTR1A (1.00) DRD2DRD3ALDH1A1ADRA1DADRA1A
Nan-190 SCHEMBL2231820 0.81 HTR1A (1.00) DRD2DRD3ALDH1A1ADRA1DADRA1A
SCHEMBL10835973 0.81 DRD2 (1.00) DRD2DRD3ALDH1A1ADRA1DADRA1A

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
EP-0494604-B1 1-Piperazinyl-2-butenes and 2-butynes, intermediates thereof, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-10-07 EP claimed
EP-0494604-A1 1-Piperazinyl-2-butenes and 2-butynes, intermediates thereof, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-15 EP claimed
US-5130315-A Treatment of psychosis Wittekind, Raymond R. (US) 1992-07-14 US claimed
CN-108329282-B Phenylpiperazine derivative and preparation method and application thereof 新乡医学院 2022-01-07 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
EP-0494604-B1 1-Piperazinyl-2-butenes and 2-butynes, intermediates thereof, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-10-07 EP disclosed
EP-0494604-A1 1-Piperazinyl-2-butenes and 2-butynes, intermediates thereof, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-15 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 1/4885ALDH1A1 1118/4885
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 DRD2 2/4885DRD3 1/4885ALDH1A1 1118/4885

“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.