SCHEMBL2117371

SCHEMBL2117371

CC(C)(C)OC(=O)N1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.54
NR1H2 P55055 1/20 0.53
ESR1 P03372 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ABHD6 Q9BV23 1/20 0.46
DRD2 P14416 6/20 0.44
DRD3 P35462 6/20 0.44
HTR1D P28221 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
STS P08842 2/20 0.42

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
SCHEMBL587484 0.93 ESR2 (0.65) ESR2NR1H2ESR1ABHD6DRD2
SCHEMBL30548173 0.93 ESR2 (0.65) ESR2NR1H2ESR1ABHD6DRD2
SCHEMBL1650187 0.93 NR1H2 (0.63) ESR2NR1H2ESR1ABHD6DRD2
SCHEMBL4039631 0.88 ESR2 (0.56) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL6406997 0.88 ESR2 (0.45) ESR2NR1H2NPC1RAB9ADRD2
SCHEMBL29051780 0.86 ESR2 (0.45) ESR2NR1H2ESR1ABHD6DRD2
SCHEMBL30468497 0.86 ESR2 (0.45) ESR2NR1H2ESR1ABHD6DRD2
SCHEMBL29051657 0.85 DRD2 (0.43) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL6188337 0.85 ESR2 (0.50) ESR2NR1H2ESR1ABHD6DRD2
SCHEMBL17462495 0.85 ESR2 (0.44) ESR2NR1H2ESR1ABHD6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-9447074-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-09-20 US disclosed
US-9447074-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-09-20 US disclosed
US-9447074-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-09-20 US disclosed
EP-2937344-A1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Glaxo Group Limited (GB) 2015-10-28 EP disclosed
EP-2937344-A1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Glaxo Group Limited (GB) 2015-10-28 EP disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1119563-B1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2006-02-01 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 WO disclosed
US-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) SMITHKLINE BEECHAM PLC (GB) 2004-09-02 US disclosed
EP-1335915-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-08-20 EP disclosed
US-6605607-B1 Antihypertensives; hyperprolactinaemia related conditions; certain central nervous system disorders SMITHKLINE BEECHAM P.L.C. (GB) 2003-08-12 US disclosed
WO-2002040471-A9 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-07-31 WO disclosed
WO-2002040471-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-23 WO disclosed
EP-1119563-A1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP disclosed
WO-2000021951-A1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2000-04-20 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 (3 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-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) DRD3, DRD2, DRD1 ESR2 698/4885NR1H2 204/4885ESR1 1677/4885
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 ESR2 1181/4885NR1H2 665/4885ESR1 832/4885
US-20160355505-A1 NOVEL COMPOUNDS SYK, NFATC1, BTK ESR2 3007/4885NR1H2 1423/4885ESR1 4161/4885

“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.