SCHEMBL6031812

SCHEMBL6031812

c1ccc(CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 1.00
SIGMAR1 Q99720 3/20 0.75
DRD2 P14416 4/20 0.70
DRD3 P35462 3/20 0.70
HTR1A P08908 1/20 0.67
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HTT P42858 1/20 0.66
HTR7 P34969 1/20 0.65
CHRNA7 P36544 1/20 0.62
MC4R P32245 1/20 0.62

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
SCHEMBL588149 0.89 DRD4 (1.00) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL6794331 0.89 DRD4 (0.79) DRD4SIGMAR1DRD2DRD3ALDH1A1
SCHEMBL22532699 0.89 DRD4 (0.79) DRD4SIGMAR1DRD2DRD3HTR1A
SCHEMBL12861757 0.89 DRD4 (0.79) DRD4SIGMAR1DRD2DRD3HTR1A
SCHEMBL4649494 0.89 DRD4 (0.87) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL3242189 0.87 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3HTR1A
SCHEMBL7604485 0.87 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL3242187 0.87 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL654308 0.87 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL5986956 0.87 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION CANON KK (JP) 2023-04-27 US disclosed
US-11518889-B2 Modified graphene, method of producing modified graphene, modified graphene-resin composite, modified graphene sheet, and modified graphene dispersion CANON KABUSHIKI KAISHA (JP) 2022-12-06 US disclosed
US-20200270463-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION CANON KABUSHIKI KAISHA (JP) 2020-08-27 US disclosed
CN-108239772-B Corrosion inhibitor for oil-water interface of ground gathering and transportation system and preparation method thereof 中国石油天然气股份有限公司 2020-03-10 CN disclosed
US-20180118700-A1 NOVEL PIPERAZINE AND PIPERIDINE DERIVATIVES, THEIR SYNTHESIS AND USE THEREOF IN INHIBITING VDAC OLIGOMERIZATION, APOPTOSIS AND MITOCHONDRIA DYSFUNCTION The National Institute for Biotechnology in the Negev Ltd. (IL) 2018-05-03 US disclosed
US-20180078548-A1 Methods for Treating Central Nervous System Disorders Using VDAC Inhibitors The National Institute for Biotechnology in the Negev Ltd. (IL) 2018-03-22 US disclosed
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. 2017-12-07 US disclosed
US-9442399-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus and phthalocyanine crystal CANON KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
US-9442399-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus and phthalocyanine crystal CANON KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
WO-1998033784-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1998-08-06 WO disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998008091-A1 NORMALIZATION OF COMBINATORIAL REACTIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-26 WO disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
WO-1996016057-A1 CERTAIN 1-SUBSTITUTED AMINOMETHYL IMIDAZOLE AND PYRROLE DERIVATIVES; NOVEL DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 WO disclosed
EP-0159566-A1 Novel piperazine derivatives, processes for production thereof, and pharmaceutical compositions comprising said compounds as active ingredient KANEBO, LTD. (JP) 1985-10-30 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 (6 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-20180118700-A1 NOVEL PIPERAZINE AND PIPERIDINE DERIVATIVES, THEIR SYNTHESIS AND USE THEREOF IN INHIBITING VDAC OLIGOMERIZATION, APOPTOSIS AND MITOCHONDRIA DYSFUNCTION VDAC1, VDAC2, VDAC3 DRD4 1928/4885SIGMAR1 2880/4885DRD2 1046/4885
US-20200270463-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION GRIA1, GRIN1, NR3C1 DRD4 105/4885SIGMAR1 844/4885DRD2 243/4885
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 DRD4 533/4885SIGMAR1 3/4885DRD2 164/4885
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION GRIA1, GRIN1, NR3C1 DRD4 109/4885SIGMAR1 835/4885DRD2 244/4885
US-20180078548-A1 Methods for Treating Central Nervous System Disorders Using VDAC Inhibitors VDAC2, VDAC3, VDAC1 DRD4 950/4885SIGMAR1 1219/4885DRD2 427/4885
US-11518889-B2 Modified graphene, method of producing modified graphene, modified graphene-resin composite, modified graphene sheet, and modified graphene dispersion GRIA1, GRIN1, NR3C1 DRD4 105/4885SIGMAR1 844/4885DRD2 243/4885

“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.