SCHEMBL4839237

SCHEMBL4839237

COc1cc(N2CCOCC2)ccc1C(=O)NC1COc2cccc(N3CCN(C)CC3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.55
SCN9A Q15858 6/20 0.55
SCN5A Q14524 5/20 0.55
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
HTR2A P28223 2/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
HTR1B P28222 2/20 0.42
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4839223 1.00 KCNH2 (0.55) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4834132 0.87 KCNH2 (0.63) KCNH2SCN9ASCN5ADRD2MAPT
SCHEMBL4834112 0.87 KCNH2 (0.63) KCNH2SCN9ASCN5ADRD2MAPT
SCHEMBL4838340 0.85 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4842018 0.85 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4838319 0.85 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL8075560 0.84 KCNH2 (0.61) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4748413 0.81 KCNH2 (0.56) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4830442 0.80 KCNH2 (0.63) KCNH2SCN9ASCN5AMAPTKMT2A
SCHEMBL4830454 0.80 KCNH2 (0.63) KCNH2SCN9ASCN5AMAPTKMT2A

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 7 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

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 KCNH2 857/4885SCN9A 1092/4885SCN5A 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 KCNH2 529/4885SCN9A 829/4885SCN5A 466/4885
US-20040157857-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 KCNH2 857/4885SCN9A 1092/4885SCN5A 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.