SCHEMBL3622100

SCHEMBL3622100

CCOc1ccc2c(c(OC(=O)C(F)(F)F)cn2S(=O)(=O)c2ccccc2)c1CN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.44
TP53 P04637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3616913 0.84 HTR6 (0.42) HTR6TP53PTGDR2KDM4E
Trifluoroacetic Acid SCHEMBL3622099 0.81 HTR6 (0.54) HTR6TP53
SCHEMBL3619784 0.79 HTR6 (0.56) HTR6
SCHEMBL3619679 0.76 HTR6 (0.61) HTR6TP53PIM1
SCHEMBL3615433 0.75 KDM4E (0.37) TP53KDM4E
SCHEMBL3617274 0.75 HTR6 (0.52) HTR6PTGDR2KDM4E
SCHEMBL3622706 0.75 HTR6 (0.52) HTR6PTGDR2KDM4E
SCHEMBL3616128 0.74 HTR6 (0.40) HTR6PTGDR2KDM4E
SCHEMBL3621348 0.74 HTR6 (0.39) HTR6PTGDR2KDM4E
SCHEMBL3614687 0.73 DDR1 (0.37) HTR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885TP53 4676/4885PTGDR2 188/4885

“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.