SCHEMBL5739465

SCHEMBL5739465

NC1CCc2ccc3c(c(OC(=O)C(F)(F)F)cn3S(=O)(=O)c3ccccc3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.44
TPSAB1 Q15661 1/20 0.35
HTR3A P46098 1/20 0.34
ACHE P22303 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5737818 0.91 HTR6 (0.44) HTR6ACHEHTR2CKMT2A
Trifluoroacetic Acid SCHEMBL5739463 0.78 HTR6 (0.61) HTR6TPSAB1DRD2
SCHEMBL3205539 0.71 HTR6 (0.71) HTR6DRD2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5737813 0.70 HTR6 (0.53) HTR6DRD2MEN1KMT2A
SCHEMBL3622706 0.69 HTR6 (0.52) HTR6
SCHEMBL3617274 0.69 HTR6 (0.52) HTR6
SCHEMBL3616913 0.69 HTR6 (0.42) HTR6
SCHEMBL3614533 0.67 HTR6 (0.41) HTR6
SCHEMBL28944310 0.67 HTR6 (0.43) HTR6DRD2MEN1KMT2A
SCHEMBL3622100 0.66 HTR6 (0.44) HTR6

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
US-20060148818-A1 Novel tetraydrospiro(piperdine-2,7'- pyrrolo{3,2-b}pyridine derivatives and novel in-dole derivatives useful in the treatment of 5-ht6 receptor-related disorders BIOVITRUM AB (SE) 2006-07-06 US claimed
EP-1675856-A1 NOVEL TETRAYDROSPIRO{PIPERIDINE-2,7'-PYRROLO [3,2]PYRIDINE} DERIVATIVES AND NOVEL INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF 5-HT6 RECEPTOR -RELATED DISORDERS BIOVITRUM AB (SE) 2006-07-05 EP claimed
WO-2005037834-A1 NOVEL TETRAYDROSPIRO{PIPERIDINE-2,7’ -PYRROLO[3,2-b]PYRIDINE DERIVATIVES AND NOVEL INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF 5-HT6 RECEPTOR -RELATED DISORDERS BIOVITRUM AB (SE) 2005-04-28 WO claimed

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-20060148818-A1 Novel tetraydrospiro(piperdine-2,7'- pyrrolo{3,2-b}pyridine derivatives and novel in-dole derivatives useful in the treatment of 5-ht6 receptor-related disorders PTGDR, HTR6, HTR1B HTR6 2/4885TPSAB1 523/4885HTR3A 8/4885

“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.