SCHEMBL3622706

SCHEMBL3622706

O=C(Oc1cn(S(=O)(=O)c2ccccc2)c2cccc(CN3CCCC3)c12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.52
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3617274 0.98 HTR6 (0.52) HTR6CYP3A4CYP2D6PTGDR2KDM4E
SCHEMBL3618926 0.93 HTR6 (0.56) HTR6CYP3A4CYP2D6KDM4EALDH1A1
SCHEMBL3611319 0.92 HTR6 (0.55) HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL3620061 0.92 HTR6 (0.45) HTR6PTGDR2KDM4EALDH1A1
SCHEMBL3626399 0.88 HTR6 (0.47) HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL3619694 0.88 HTR6 (0.43) HTR6CYP3A4CYP2D6
SCHEMBL3618731 0.88 HTR6 (0.44) HTR6CYP3A4CYP2D6PTGDR2KDM4E
SCHEMBL3620708 0.87 HTR6 (0.44) HTR6KDM4EALDH1A1TDP1
SCHEMBL3616454 0.86 HTR6 (0.47) HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL3620334 0.86 HTR6 (0.47) HTR6PTGDR2KDM4EALDH1A1

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 1/4885CYP3A4 405/4885CYP2D6 107/4885

“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.