SCHEMBL3618330

SCHEMBL3618330

O=S(=O)(c1ccccc1)n1ccc2c(C3CNCCN3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.55
DRD3 P35462 3/20 0.55
DRD2 P14416 2/20 0.55
HTR1A P08908 2/20 0.46
HTR2A P28223 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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 SCHEMBL3607520 0.92 HTR6 (0.48) HTR6DRD3DRD2HTR1AHTR2A
SCHEMBL9590277 0.86 HTR6 (0.66) HTR6
Trifluoroacetic Acid SCHEMBL4021326 0.82 HTR6 (0.43) HTR6DRD3DRD2HTR1AHTR2A
Trifluoroacetic Acid SCHEMBL4026519 0.80 HTR6 (0.42) HTR6DRD3DRD2HTR2A
SCHEMBL4680178 0.80 HTR6 (0.73) HTR6DRD3DRD2
SCHEMBL4307623 0.73 HTR6 (0.62) HTR6DRD3DRD2HTR1AHTR2A
SCHEMBL6493863 0.73 HTR6 (0.58) HTR6DRD3DRD2
Hydrochloric Acid SCHEMBL6504505 0.72 HTR6 (0.57) HTR6DRD3DRD2
SCHEMBL7949911 0.71 HTR6 (0.63) HTR6DRD3DRD2HTR1AHTR2A
SCHEMBL6504789 0.71 HTR6 (0.62) HTR6DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US claimed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP claimed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US claimed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO claimed
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
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885DRD3 77/4885DRD2 41/4885

“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.