SCHEMBL406531

SCHEMBL406531

NCCC1COc2ccccc2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
CA2 P00918 4/20 0.59
ADRA2A P08913 2/20 0.57
ADRA1A P35348 2/20 0.57
HTR1A P08908 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
DRD3 P35462 1/20 0.57
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1B P35368 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
ALOX5 P09917 1/20 0.53
POLB P06746 2/20 0.50
ESR2 Q92731 1/20 0.50
MTNR1A P48039 1/20 0.50

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
Hydrochloric Acid SCHEMBL8179101 0.98 HTT (0.59) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL407540 0.85 ADRA2A (0.60) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL31407451 0.85 ADRA2A (0.60) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL8186813 0.85 ADRA2A (0.60) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL29841237 0.85 ADRA2A (0.60) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL439092 0.85 ADRA2A (0.60) HTTCA2ADRA2AADRA1AHTR1A
Bromide SCHEMBL11489853 0.83 ADRA2A (0.58) HTTCA2ADRA2AADRA1AHTR1A
Hydrochloric Acid SCHEMBL783118 0.83 ADRA2A (0.58) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL12309752 0.81 POLB (0.62) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL8788249 0.81 HTT (0.61) HTTCA2ADRA2AADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
EP-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 EP disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 US disclosed
EP-1768970-B1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8937096-B2 Use of benzo-fused heterocyle sulfamide derivatives for the treatment of mania and bipolar disorder JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
US-8937096-B2 Use of benzo-fused heterocyle sulfamide derivatives for the treatment of mania and bipolar disorder JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
US-8853263-B2 Co-therapy for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8853263-B2 Co-therapy for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
EP-1968572-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION JANSSEN PHARMACEUTICA NV (BE) 2014-08-06 EP disclosed
EP-2276481-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
EP-0429535-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-05 EP disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
EP-0359400-A1 Fungicidal benzodioxane amine derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-21 EP disclosed
CN-1040371-A The preparation method of benzo two  alkanamine derivatives DU PONT (US) 1990-03-14 CN disclosed
WO-1990002122-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-08 WO disclosed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
EP-0003359-B1 SPECIFIC OPTICAL ISOMERS OF 2-AMINOETHYL-1,4-BENZODIOXANES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS CIBA-GEIGY AG (CH) 1981-02-11 EP disclosed
US-4187313-A HYPOTENSIVE AGENTS, BRADYCARDIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-02-05 US disclosed
EP-0003359-A1 Specific optical isomers of 2-aminoethyl-1,4-benzodioxanes, process for their preparation and their pharmaceutical compositions CIBA-GEIGY AG (CH) 1979-08-08 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-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 HTT 1159/4885CA2 2592/4885ADRA2A 4714/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 HTT 1159/4885CA2 2592/4885ADRA2A 4714/4885

“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.