SCHEMBL4839839

SCHEMBL4839839

CCN(CC)N(C(=O)c1ccccc1)C1COc2cccc(N3CCN(C)CC3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
SCN9A Q15858 6/20 0.48
SCN5A Q14524 5/20 0.45
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 5/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR2C P28335 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL4830439 0.89 KCNH2 (0.47) KCNH2SCN9ASCN5AALDH1A1LMNA
SCHEMBL7028895 0.82 TMEM97 (0.46) DRD2HTR1AHTR2ATMEM97SIGMAR1
SCHEMBL4837491 0.75 KCNH2 (0.44) KCNH2SCN9ASCN5ATMEM97SIGMAR1
SCHEMBL4830529 0.75 KCNH2 (0.44) KCNH2SCN9ASCN5ATMEM97SIGMAR1
SCHEMBL14157855 0.73 KCNH2 (0.52) KCNH2SCN9ASCN5AALDH1A1LMNA
SCHEMBL6762070 0.70 KCNH2 (0.45) KCNH2SCN9ASCN5AALDH1A1LMNA
SCHEMBL4840015 0.70 KCNH2 (0.45) KCNH2SCN9ASCN5AALDH1A1LMNA
SCHEMBL4840005 0.70 KCNH2 (0.45) KCNH2SCN9ASCN5AALDH1A1LMNA
SCHEMBL27517818 0.70 KCNH2 (0.45) KCNH2SCN9ASCN5AALDH1A1LMNA
SCHEMBL4836383 0.70 SCN9A (0.71) KCNH2SCN9ASCN5ADRD2HTR1A

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 12 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

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.