SCHEMBL439092

SCHEMBL439092

NC[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
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
CA2 P00918 4/20 0.57
HTT P42858 1/20 0.56
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
POLB P06746 1/20 0.53
ESR2 Q92731 1/20 0.53
MTNR1A P48039 1/20 0.53

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
SCHEMBL8186813 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL407540 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL31407451 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL29841237 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
Hydrochloric Acid SCHEMBL783118 0.98 ADRA2A (0.58) ADRA2AADRA1AHTR1ADRD1TBXA2R
Bromide SCHEMBL11489853 0.98 ADRA2A (0.58) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL406531 0.85 HTT (0.61) ADRA2AADRA1AHTR1ADRD1TBXA2R
Hydrochloric Acid SCHEMBL8179101 0.83 HTT (0.59) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL568115 0.80 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL11484814 0.80 ADRA2A (0.56) ADRA2AADRA1AHTR1ADRD1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291533-B2 Substituted fused pyrimidine compounds and uses thereof NORTHWESTERN UNIVERSITY (US) 2025-05-06 US disclosed
US-20200283444-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY 2020-09-10 US disclosed
US-20200283444-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY 2020-09-10 US disclosed
WO-2019027765-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THERE NORTHWESTERN UNIVERSITY (US) 2019-02-07 WO disclosed
EP-2847178-B1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF US HEALTH (US) 2017-01-04 EP 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-9012466-B2 Substituted tricyclic pyrazolo-pyrimidine compounds ARQULE INC. (US) 2015-04-21 US disclosed
US-9012466-B2 Substituted tricyclic pyrazolo-pyrimidine compounds ARQULE INC. (US) 2015-04-21 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
WO-2014164729-A1 SUBSTITUTED TRICYCLIC PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2014-10-09 WO disclosed
US-5658941-A PSYCHOLOGICAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-19 US disclosed
US-5559143-A Serotonin 5HT1A agonistic method MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
US-5496847-A ANXIOLYTIC AND ANTIDEPRESSANT BRISTOL-MYERS SQUIBB CO. (US) 1996-03-05 US disclosed
EP-0520674-B1 Antipsychotic benzodioxan derivatives AMERICAN HOME PROD (US) 1995-08-16 EP disclosed
US-5391570-A Anxiolytic agents; antidepressants BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed
US-5387604-A 1,4 benzodioxin derivatives and their use as serotonin 5HT1A agonists MERRELL DOW PHARMACEUTICALS INC. (US) 1995-02-07 US disclosed
US-5189179-A SEROTONIN 5HT1A AGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0520674-A1 Antipsychotic benzodioxan derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-30 EP disclosed
US-5126366-A Antidepressants, antipsychotics, anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-30 US disclosed
EP-0478954-A1 Serotonin 5HT1A and 5HT1D antagonists MERRELL PHARMACEUTICALS INC. (US) 1992-04-08 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-20200283444-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF GBA3, GBA1, GBA2 ADRA2A 2468/4885ADRA1A 2470/4885HTR1A 4200/4885
US-12291533-B2 Substituted fused pyrimidine compounds and uses thereof GBA3, GBA1, GBA2 ADRA2A 2468/4885ADRA1A 2470/4885HTR1A 4200/4885

“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.