SCHEMBL4830469

SCHEMBL4830469

CN1CCN(c2cccc3c2CC(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)CO3)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.66
KCNH2 Q12809 7/20 0.66
SCN5A Q14524 7/20 0.66
SRPK1 Q96SB4 1/20 0.44
SLC6A9 P48067 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
LMNA P02545 2/20 0.40
GPR52 Q9Y2T5 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL4830463 1.00 SCN9A (0.66) SCN9AKCNH2SCN5ASRPK1SLC6A9
SCHEMBL4830458 0.88 SCN9A (0.80) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4841770 0.88 SCN9A (0.80) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4830465 0.88 SCN9A (0.80) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4747544 0.86 SCN9A (0.49) SCN9AKCNH2SCN5ASLC6A9ALDH1A1
SCHEMBL4748128 0.81 SCN9A (0.75) SCN9AKCNH2SCN5AALDH1A1MEN1
SCHEMBL8080619 0.80 SCN9A (0.73) SCN9AKCNH2SCN5AHSD17B1HSD17B2
SCHEMBL4749667 0.80 SCN9A (0.42) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4842078 0.79 SCN9A (1.00) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4842065 0.79 SCN9A (1.00) SCN9AKCNH2SCN5ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.