SCHEMBL3620985

SCHEMBL3620985

O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc2c(CN3CCCC3)cccc21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59

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 SCHEMBL3620059 0.94 HTR6 (0.56) HTR6CYP3A4CYP2D6
SCHEMBL3622517 0.91 HTR6 (0.74) HTR6CYP3A4CYP2D6
SCHEMBL4019548 0.86 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL3624442 0.84 HTR6 (0.80) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3622703 0.83 HTR6 (0.68) HTR6CYP3A4CYP2D6
SCHEMBL13142727 0.82 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL3621867 0.82 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL3621706 0.82 HTR6 (0.80) HTR6CYP3A4CYP2D6
SCHEMBL3620837 0.81 HTR6 (0.81) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3617270 0.81 HTR6 (0.68) HTR6CYP3A4CYP2D6

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 7 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
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 1/4885CYP3A4 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.