SCHEMBL3223044

SCHEMBL3223044

CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3Br)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
CHRM1 P11229 1/20 0.84
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
ADRA2A P08913 1/20 0.55
ADRA2C P18825 1/20 0.55
HTR2A P28223 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL3409661 0.92 HTR6 (1.00) HTR6CHRM1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3219058 0.91 HTR6 (0.98) HTR6CHRM1CYP3A4CYP2D6
SCHEMBL3409097 0.87 HTR6 (1.00) HTR6CHRM1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3217603 0.86 HTR6 (0.98) HTR6CHRM1CYP3A4CYP2D6
SCHEMBL3407799 0.84 HTR6 (1.00) HTR6CHRM1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3217522 0.84 HTR6 (0.98) HTR6CHRM1CYP3A4CYP2D6
SCHEMBL3221790 0.83 HTR6 (1.00) HTR6CHRM1
SCHEMBL3221074 0.80 HTR6 (0.85) HTR6CHRM1
SCHEMBL3209765 0.79 HTR6 (0.83) HTR6CHRM1
SCHEMBL3209681 0.78 HTR6 (1.00) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553467-B 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD. (IN) 2011-12-07 CN claimed
EP-2114878-B1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2010-12-15 EP claimed
US-20100041673-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-02-18 US claimed
CN-101553467-A 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD (IN) 2009-10-07 CN claimed
US-8470830-B2 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LIMITED (IN) 2013-06-25 US disclosed
CN-101553467-B 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD. (IN) 2011-12-07 CN disclosed
EP-2114878-B1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2010-12-15 EP disclosed
US-20100041673-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-02-18 US disclosed
CN-101553467-A 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD (IN) 2009-10-07 CN 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-20100041673-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR5A, HTR2C HTR6 1/4885CHRM1 1314/4885CYP3A4 388/4885

“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.