SCHEMBL5208626

SCHEMBL5208626

Cc1ccc2c(OCCN3CCC(=Cc4cc(NS(C)(=O)=O)ccc4C)CC3)cccc2n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.63
HTR1B P28222 19/20 0.63
HTR1A P08908 17/20 0.63
DRD2 P14416 2/20 0.63
HTR2A P28223 2/20 0.63
HTR7 P34969 2/20 0.63
HTR2B P41595 2/20 0.63
ADRB2 P07550 1/20 0.63
HTR1E P28566 1/20 0.63
HTR1F P30939 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1B P35368 1/20 0.63
HTR5A P47898 1/20 0.63
HTR2C P28335 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5210583 0.93 HTR1D (0.62) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5208628 0.89 HTR1D (0.67) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5214344 0.85 HTR1D (0.57) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5209475 0.84 HTR1D (0.59) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5206746 0.84 HTR1D (0.56) HTR1DHTR1BHTR1ADRD2HTR7
SCHEMBL6632017 0.84 HTR1D (0.53) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5206353 0.84 HTR1D (0.56) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5213190 0.82 HTR1D (0.57) HTR1DHTR1BHTR1ADRD2HTR2A
SCHEMBL5207090 0.82 HTR1D (0.61) HTR1DHTR1BHTR1ADRD2HTR7
SCHEMBL5212900 0.81 HTR1A (0.81) HTR1DHTR1BHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480972-B1 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-04-11 EP disclosed
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders GLAXO GROUP LIMITED (GB) 2005-05-19 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 (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-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders CNR1, HTR5A, HTR1A HTR1D 6/4885HTR1B 16/4885HTR1A 3/4885

“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.