SCHEMBL3620069

SCHEMBL3620069

C[C@H]1CN(Cc2cc(F)cc3c2ccn3S(=O)(=O)c2ccccc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.54
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
MLNR O43193 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL13120010 1.00 HTR6 (0.54) HTR6CYP3A4CYP2D6XIAPBIRC2
SCHEMBL3619655 1.00 HTR6 (0.54) HTR6CYP3A4CYP2D6XIAPBIRC2
Trifluoroacetic Acid SCHEMBL3614458 0.94 HTR6 (0.48) HTR6CYP3A4CYP2D6XIAPBIRC2
SCHEMBL3619791 0.87 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL13119999 0.87 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL3625889 0.87 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL3621512 0.86 HTR6 (0.72) HTR6CYP3A4CYP2D6
SCHEMBL3617373 0.83 HTR6 (0.68) HTR6CYP3A4CYP2D6MLNR
Trifluoroacetic Acid SCHEMBL3611470 0.83 HTR6 (0.47) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3623190 0.83 HTR6 (0.47) 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 6 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-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.