SCHEMBL2314632

SCHEMBL2314632

COc1ccccc1N1CCN(CC=CCN)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPK1 P28482 2/20 0.61
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
DRD2 P14416 4/20 0.59
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DRD3 P35462 4/20 0.57
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HTR1A P08908 1/20 0.56

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
SCHEMBL9036478 1.00 KDM4E (0.61) KDM4EMAPK1ALDH1A1GLAMAPT
SCHEMBL2314625 1.00 KDM4E (0.61) KDM4EMAPK1ALDH1A1GLAMAPT
SCHEMBL30080714 1.00 KDM4E (0.61) KDM4EMAPK1ALDH1A1GLAMAPT
SCHEMBL30080716 1.00 KDM4E (0.61) KDM4EMAPK1ALDH1A1GLAMAPT
SCHEMBL7786798 0.82 DRD2 (0.66) KDM4EMAPK1ALDH1A1GLAMAPT
SCHEMBL1074635 0.81 DRD2 (0.64) KDM4EMAPK1ALDH1A1GLAMAPT
SCHEMBL1193917 0.81 DRD2 (0.64) KDM4EMAPK1ALDH1A1GLAMAPT
SCHEMBL2320328 0.81 DRD2 (0.69) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL2320320 0.81 DRD2 (0.69) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL30080702 0.81 DRD2 (0.69) KDM4EALDH1A1GLAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334715-A For treating psychological disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 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-20140296249-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-10-02 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-8748608-B2 4-phenylpiperazine derivatives with functionalized linkers as dopamine D3 receptor selective ligands and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-06-10 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
US-20100267737-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE THE GOV. OF THE U.S.A AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2010-10-21 US 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-0511610-B1 Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments HOECHST ROUSSEL PHARMA (US) 1996-09-11 EP disclosed
US-5440048-A Treating psychoses HOECHST-ROUSSEL PHARMACEUTICALS INC (US) 1995-08-08 US disclosed
US-5334715-A For treating psychological disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 US disclosed
US-5225412-A Antipsychotic HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-06 US disclosed
US-5194436-A For trating psychosis HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-03-16 US disclosed
EP-0511610-A1 Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-04 EP disclosed
US-5143923-A Psychological disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-09-01 US 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
US-5130315-A Treatment of psychosis Wittekind, Raymond R. (US) 1992-07-14 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-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 KDM4E 3851/4885MAPK1 1993/4885ALDH1A1 1118/4885
US-20100267737-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE DRD3, DRD2, HTR3C KDM4E 2686/4885MAPK1 2492/4885ALDH1A1 680/4885
US-20140296249-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE DRD3, DRD2, SLC6A3 KDM4E 3515/4885MAPK1 2723/4885ALDH1A1 806/4885
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 KDM4E 3851/4885MAPK1 1993/4885ALDH1A1 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.