SCHEMBL5369040

SCHEMBL5369040

Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCCN5S(C)(=O)=O)CC3)cccc2n1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.65
HTR1D P28221 20/20 0.65
HTR1B P28222 20/20 0.65
DRD2 P14416 4/20 0.58
HTR7 P34969 4/20 0.58
HTR2A P28223 3/20 0.58
HTR2B P41595 3/20 0.58
SLC6A4 P31645 2/20 0.58
ADRB2 P07550 1/20 0.58
HTR1E P28566 1/20 0.58
HTR1F P30939 1/20 0.58
ADRA1B P35368 1/20 0.58
HTR5A P47898 1/20 0.58
ADRB1 P08588 3/20 0.55
DRD3 P35462 3/20 0.55
HTR2C P28335 1/20 0.55
HTR6 P50406 1/20 0.53

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
SCHEMBL5369281 0.91 HTR1A (0.53) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL5364221 0.89 HTR1A (0.72) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL5367009 0.87 HTR1A (0.66) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL5367054 0.81 HTR1D (0.71) HTR1AHTR1DHTR1B
SCHEMBL5213797 0.80 HTR1A (0.79) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL5211540 0.79 HTR1A (0.78) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL6615776 0.79 HTR1A (0.67) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL6620176 0.78 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL5364338 0.78 HTR1A (0.54) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL5210854 0.77 HTR1A (0.70) HTR1AHTR1DHTR1BDRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US claimed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP claimed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US claimed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP claimed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US disclosed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 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 (1 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-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C HTR1A 2/4885HTR1D 4/4885HTR1B 11/4885

“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.