SCHEMBL1021052

SCHEMBL1021052

OC[C@H]1COc2cccc(F)c2O1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CA2 P00918 2/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HTR1A P08908 4/20 0.39
HTR7 P34969 1/20 0.39
HTT P42858 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL6974656 1.00 ADRA1A (0.47) ADRA1AADRA1DADRA1BL3MBTL1CA2
SCHEMBL8125243 0.87 CA2 (0.58) ADRA1AL3MBTL1CA2MAPK1HPGD
SCHEMBL6985807 0.83 ADRA1A (0.49) ADRA1AADRA1DADRA1BCA2HTR1A
SCHEMBL6985813 0.83 ADRA1A (0.49) ADRA1AADRA1DADRA1BCA2HTR1A
SCHEMBL6981978 0.83 CA2 (0.41) ADRA1AADRA1DADRA1BCA2MAPK1
SCHEMBL6981984 0.83 CA2 (0.41) ADRA1AADRA1DADRA1BCA2MAPK1
SCHEMBL1043746 0.82 L3MBTL1 (0.35) ADRA1AADRA1DADRA1BL3MBTL1CA2
SCHEMBL6978317 0.82 L3MBTL1 (0.35) ADRA1AADRA1DADRA1BL3MBTL1CA2
SCHEMBL6982180 0.82 CA2 (0.59) ADRA1AADRA1DADRA1BCA2TSHR
SCHEMBL4961826 0.82 CA2 (0.40) ADRA1AADRA1DADRA1BCA2HPGD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
EP-2941427-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Pierre Fabre Médicament (FR) 2015-11-11 EP disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 WO disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 WO disclosed
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
CN-102036976-B Modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2013-05-01 CN disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
CN-102036976-A Modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2011-04-27 CN disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
EP-0928791-B1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO LTD (JP) 2003-07-30 EP disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 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 (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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 ADRA1A 45/4885ADRA1D 30/4885ADRA1B 56/4885
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS HCRTR1, HCRTR2, OXSR1 ADRA1A 800/4885ADRA1D 303/4885ADRA1B 839/4885

“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.