SCHEMBL4830475

SCHEMBL4830475

CCCCOc1ccc(C(=O)NC2COc3cccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 1.00
KCNH2 Q12809 6/20 1.00
SCN5A Q14524 5/20 0.73
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYSLTR2 Q9NS75 7/20 0.46
CYSLTR1 Q9Y271 7/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL4834375 1.00 SCN9A (1.00) SCN9AKCNH2SCN5AGAAMAPT
SCHEMBL4830466 1.00 SCN9A (1.00) SCN9AKCNH2SCN5AGAAMAPT
SCHEMBL4853281 0.85 SCN9A (0.76) SCN9AKCNH2SCN5AGAAMAPT
SCHEMBL4853268 0.85 SCN9A (0.76) SCN9AKCNH2SCN5AGAAMAPT
SCHEMBL4749985 0.85 SCN9A (0.74) SCN9AKCNH2SCN5AGAACYSLTR2
SCHEMBL4842065 0.85 SCN9A (1.00) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4842078 0.85 SCN9A (1.00) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4749736 0.84 SCN9A (0.73) SCN9AKCNH2SCN5AGAACYSLTR2
SCHEMBL7020765 0.84 KCNH2 (0.72) SCN9AKCNH2SCN5AGAAMAPT
SCHEMBL7028131 0.84 KCNH2 (0.72) SCN9AKCNH2SCN5AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157857-A1 Substituted chroman derivatives BERG STEFAN (SE) 2004-08-12 US claimed
EP-1025095-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP claimed
US-20030100556-A1 Substituted chroman derivatives BERG STEFAN (SE) 2003-05-29 US claimed
US-6479497-B1 COMPOUNDS HAVING A SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXYTRYPTAMINE RECEPTORS, DESIGNATED THE H5-HT1B RECEPTOR ASTRAZENECA AB (SE) 2002-11-12 US claimed
US-7384943-B2 Substituted chroman derivatives ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant BERG STEFAN 2006-10-05 US disclosed
US-7056921-B2 Substituted chroman derivatives ASTRAZANECA AB (SE) 2006-06-06 US disclosed
US-20040157857-A1 Substituted chroman derivatives BERG STEFAN (SE) 2004-08-12 US disclosed
US-6670359-B2 Such as (S)-N-(5-(4-Methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl)-4 -morpholinobenzamide for treatment of mood/anxiety/eating disorders ASTRAZENECA AB (SE) 2003-12-30 US disclosed
EP-1025095-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
US-20030100556-A1 Substituted chroman derivatives BERG STEFAN (SE) 2003-05-29 US disclosed
US-6479497-B1 COMPOUNDS HAVING A SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXYTRYPTAMINE RECEPTORS, DESIGNATED THE H5-HT1B RECEPTOR ASTRAZENECA AB (SE) 2002-11-12 US disclosed
EP-1025095-A1 SUBSTITUTED CHROMAN DERIVATIVES AstraZeneca AB (SE) 2000-08-09 EP disclosed
WO-1999014212-A1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 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-20030100556-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 SCN9A 1092/4885KCNH2 857/4885SCN5A 905/4885
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant HTR2B, HTR2C, HTR2A SCN9A 829/4885KCNH2 529/4885SCN5A 466/4885
US-20040157857-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 SCN9A 1092/4885KCNH2 857/4885SCN5A 905/4885

“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.