SCHEMBL2537153

SCHEMBL2537153

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.52
DRD3 P35462 2/20 0.52
ACHE P22303 2/20 0.52
DRD2 P14416 3/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 3/20 0.51
KCNH2 Q12809 3/20 0.51
JAK1 P23458 1/20 0.49
SCD O00767 1/20 0.49

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
SCHEMBL2537150 1.00 HTR2A (0.52) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL2538094 0.91 SCD (0.59) HTR2ADRD3HTR7SCD
SCHEMBL2538098 0.91 SCD (0.59) HTR2ADRD3HTR7SCD
SCHEMBL17180607 0.85 ACHE (0.56) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL2540454 0.83 DRD2 (0.54) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL2540450 0.83 DRD2 (0.54) HTR2ADRD3ACHEDRD2SLC6A4
SCHEMBL7712271 0.83 DRD2 (0.43) HTR2ADRD2HTR7SCD
SCHEMBL14844437 0.83 DRD2 (0.43) HTR2ADRD2HTR7SCD
SCHEMBL2197968 0.75 ACHE (0.62) HTR2AACHEDRD2SLC6A4SCD
SCHEMBL1546057 0.74 ACHE (0.68) HTR2ADRD3ACHEDRD2SLC6A4

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 HTR2A 101/4885DRD3 179/4885ACHE 1851/4885

“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.