SCHEMBL5367624

SCHEMBL5367624

Cc1ccc2c(OCCN3CCC(Oc4ccc5c(c4)NC(=O)CC5)CC3)cccc2n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.62
SLC6A4 P31645 4/20 0.62
ADRA1B P35368 3/20 0.62
ADRA1D P25100 2/20 0.62
ADRA1A P35348 2/20 0.62
HTR1A P08908 17/20 0.59
HTR1D P28221 13/20 0.59
HTR1B P28222 12/20 0.59
HTR2A P28223 2/20 0.56
HTR7 P34969 2/20 0.56
HTR2B P41595 2/20 0.56
ADRB1 P08588 1/20 0.56
DRD3 P35462 1/20 0.56
ADRB2 P07550 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
HTR5A P47898 1/20 0.50

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
SCHEMBL5205998 0.80 HTR1D (0.59) HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL5356871 0.79 HTR1D (0.68) DRD2SLC6A4HTR1AHTR1DHTR1B
SCHEMBL6615037 0.79 HTR1D (0.50) DRD2SLC6A4ADRA1BHTR1AHTR1D
SCHEMBL5211773 0.79 HTR1D (0.75) DRD2SLC6A4ADRA1BADRA1DADRA1A
SCHEMBL5206483 0.78 HTR1D (0.60) HTR1AHTR1DHTR1B
SCHEMBL5369349 0.78 HTR1A (0.76) DRD2SLC6A4ADRA1BHTR1AHTR1D
SCHEMBL5207534 0.78 HTR1A (0.58) DRD2SLC6A4ADRA1BHTR1AHTR1D
SCHEMBL5207182 0.77 HTR1D (0.71) DRD2SLC6A4ADRA1BHTR1AHTR1D
SCHEMBL5213858 0.76 HTR1D (0.62) DRD2SLC6A4ADRA1BHTR1AHTR1D
SCHEMBL6619781 0.76 HTR1D (0.57) DRD2SLC6A4ADRA1BHTR1AHTR1D

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
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
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 DRD2 70/4885SLC6A4 104/4885ADRA1B 172/4885

“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.