SCHEMBL3620066

SCHEMBL3620066

CN(C)Cc1cccc2c1ccn2S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.56
HTR1A P08908 3/20 0.56
HTR1D P28221 3/20 0.56
HTR1B P28222 3/20 0.56
HTR1F P30939 3/20 0.56
HTR7 P34969 3/20 0.56
DRD3 P35462 3/20 0.56
DRD2 P14416 2/20 0.56
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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 SCHEMBL3625968 0.94 HTR6 (0.53) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3626256 0.88 HTR6 (0.50) HTR6HTR1AHTR1DHTR1BHTR1F
Trifluoroacetic Acid SCHEMBL3619111 0.84 HTR6 (0.48) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3622409 0.83 HTR6 (0.77) HTR6HTR1AHTR1DHTR1BHTR1F
Trifluoroacetic Acid SCHEMBL3621161 0.82 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3619113 0.82 HTR6 (0.46) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3620777 0.81 HTR6 (0.48) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3620985 0.81 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL3622449 0.80 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3621863 0.79 HTR6 (0.50) HTR6HTR1AHTR1DHTR1BHTR1F

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 8 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 claimed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US claimed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US 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-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 1/4885HTR1A 3/4885HTR1D 11/4885

“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.