SCHEMBL568115

SCHEMBL568115

OC[C@H]1COc2ccccc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.60
ADRA1A P35348 2/20 0.60
HTT P42858 1/20 0.60
HTR1A P08908 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60
DRD3 P35462 1/20 0.60
MTNR1A P48039 1/20 0.57
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1B P35368 1/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
ALOX5 P09917 1/20 0.55
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL407539 1.00 ADRA2A (0.60) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL30640286 1.00 ADRA2A (0.60) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL3266284 1.00 ADRA2A (0.60) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL9316602 0.88 CA2 (0.58) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL28929697 0.86 CA2 (0.53) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL1545537 0.85 HTT (0.66) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL2399301 0.83 SMN1; SMN2 (0.55) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL896627 0.83 SMN1; SMN2 (0.55) ADRA2AADRA1AHTTHTR1ADRD1
Methyl Alcohol SCHEMBL10973093 0.81 POLB (0.58) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL20445516 0.80 ADRA2A (0.56) ADRA2AADRA1AHTTHTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 US disclosed
EP-4346788-A2 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND METHODS OF THEIR USE Arcadia Medicine, Inc. (US) 2024-04-10 EP disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
WO-2022256720-A2 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND METHODS OF THEIR USE ARCADIA MEDICINE, INC. (US) 2022-12-08 WO disclosed
US-11498896-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2022-11-15 US disclosed
CN-110092774-B Aromatic propionic acid derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-04-08 CN disclosed
CN-109824646-B Method for synthesizing optically pure 2-hydroxymethyl-1, 4-benzodioxan and derivative thereof 陕西师范大学 2021-12-07 CN disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 US disclosed
CN-1278815-A 3-oxo-2(H)-1,2,4-triazine derivativs as ligands of 5HT1A receptors PF MEDICAMENT (FR) 2001-01-03 CN disclosed
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
EP-0717739-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-06-26 EP disclosed
EP-0494283-B1 1,4-BENZODIOXANE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI LAB (ES) 1995-10-11 EP disclosed
WO-1995007274-A1 BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-03-16 WO disclosed
EP-0494283-A1 1,4-BENZODIOXANE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM. MENARINI LAB (ES) 1992-07-15 EP disclosed
WO-1992002517-A1 1,4-BENZODIOSCANE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM LABORATORIOS MENARINI S.A. (ES) 1992-02-20 WO 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A ADRA2A 41/4885ADRA1A 58/4885HTT 1037/4885
US-11498896-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 ADRA2A 72/4885ADRA1A 164/4885HTT 536/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 ADRA2A 72/4885ADRA1A 164/4885HTT 536/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 ADRA2A 72/4885ADRA1A 164/4885HTT 536/4885

“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.