SCHEMBL4834112

SCHEMBL4834112

COc1ccc(C(=O)N[C@@H]2COc3cccc(N4CCN(C)CC4)c3C2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.63
SCN9A Q15858 6/20 0.63
SCN5A Q14524 5/20 0.63
MTNR1A P48039 2/20 0.46
GPX4 P36969 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL4834132 1.00 KCNH2 (0.63) KCNH2SCN9ASCN5AMTNR1AGPX4
SCHEMBL4830454 0.91 KCNH2 (0.63) KCNH2SCN9ASCN5AMTNR1ATSHR
SCHEMBL4830442 0.91 KCNH2 (0.63) KCNH2SCN9ASCN5AMTNR1ATSHR
SCHEMBL4839237 0.87 KCNH2 (0.55) KCNH2SCN9ASCN5ATSHRKMT2A
SCHEMBL4839223 0.87 KCNH2 (0.55) KCNH2SCN9ASCN5ATSHRKMT2A
SCHEMBL8080619 0.80 SCN9A (0.73) KCNH2SCN9ASCN5ADRD2
SCHEMBL8075560 0.79 KCNH2 (0.61) KCNH2SCN9ASCN5AMTNR1ATSHR
SCHEMBL4830463 0.79 SCN9A (0.66) KCNH2SCN9ASCN5ATSHRKMT2A
SCHEMBL839786 0.79 SCN9A (0.62) KCNH2SCN9ASCN5AMTNR1APRMT5
SCHEMBL4830469 0.79 SCN9A (0.66) KCNH2SCN9ASCN5ATSHRKMT2A

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 9 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
CN-1278810-A Substituted chroman derivatives ASTRA ZENECA INC (SE) 2001-01-03 CN 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.