SCHEMBL3620801

SCHEMBL3620801

O=S(=O)(c1ccccc1)n1ccc2c(-c3cnccn3)cccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.66
DRD2 P14416 4/20 0.60
HTR2A P28223 3/20 0.60
MET P08581 1/20 0.50
HTR1A P08908 4/20 0.48
HTR7 P34969 3/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
HTR1F P30939 2/20 0.48
DRD3 P35462 2/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL4026519 0.78 HTR6 (0.42) HTR6DRD2HTR2ADRD3
SCHEMBL30644286 0.73 HTR6 (0.68) HTR6DRD2HTR2AMETHTR1A
SCHEMBL260867 0.73 HTR6 (0.68) HTR6DRD2HTR2AMETHTR1A
SCHEMBL3610149 0.72 HTR6 (0.51) HTR6DRD2HTR2AMETHTR1A
SCHEMBL2672894 0.71 HTR6 (0.60) HTR6DRD2HTR2AMETHTR1A
SCHEMBL30374411 0.71 HTR6 (0.60) HTR6DRD2HTR2AMETHTR1A
SCHEMBL5746143 0.70 HTR6 (0.68) HTR6DRD2HTR2AHTR1AHTR7
SCHEMBL20843619 0.70 HTR6 (0.68) HTR6DRD2HTR2AMETHTR1A
SCHEMBL30229336 0.70 HTR6 (0.68) HTR6DRD2HTR2AMETHTR1A
SCHEMBL4019658 0.70 HTR6 (0.68) HTR6DRD2HTR2AMETHTR1A

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 1/4885DRD2 41/4885HTR2A 14/4885

“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.