SCHEMBL2540454

SCHEMBL2540454

COC(=O)C1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2A P28223 5/20 0.52
KCNH2 Q12809 3/20 0.52
HTR7 P34969 1/20 0.52
ACHE P22303 2/20 0.52
DRD3 P35462 2/20 0.52
HTR1A P08908 3/20 0.52
ADRA2A P08913 2/20 0.51
ADRA1D P25100 2/20 0.51
HTR2C P28335 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 2/20 0.51
ADRA1B P35368 2/20 0.51
HTR6 P50406 2/20 0.51

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
SCHEMBL2540450 1.00 DRD2 (0.54) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL2541849 0.91 HTR2A (0.52) HTR2AHTR7DRD3HTR1A
SCHEMBL2541853 0.91 HTR2A (0.52) HTR2AHTR7DRD3HTR1A
SCHEMBL17180607 0.85 ACHE (0.56) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL2537153 0.83 HTR2A (0.52) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL2537150 0.83 HTR2A (0.52) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL14844353 0.83 DRD2 (0.45) DRD2HTR2AKCNH2HTR7HTR1A
SCHEMBL14853326 0.83 DRD2 (0.45) DRD2HTR2AKCNH2HTR7HTR1A
SCHEMBL8351112 0.77 HTR2A (0.62) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL8350139 0.77 DRD2 (0.63) DRD2SLC6A4HTR2AKCNH2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571879-B1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1B, AVPR1A, AVPR2 DRD2 262/4885SLC6A4 874/4885HTR2A 101/4885

“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.