SCHEMBL3429064

SCHEMBL3429064

CN1CCN(Cc2cn(S(=O)(=O)c3ccccc3Br)c3cccc(Cl)c23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
ADRA2A P08913 1/20 0.60
ADRA2C P18825 1/20 0.60
HTR2A P28223 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL3205340 0.92 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL5558903 0.92 HTR6 (0.84) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL947048 0.86 HTR6 (0.75) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL946875 0.84 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Hydrochloric Acid SCHEMBL946247 0.83 HTR6 (0.98) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL27617670 0.81 HTR6 (0.68) HTR6
SCHEMBL3211898 0.79 HTR6 (1.00) HTR6
SCHEMBL947477 0.78 HTR6 (0.83) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL3216224 0.78 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Hydrochloric Acid SCHEMBL946339 0.78 HTR6 (0.83) HTR6CYP3A4CYP2D6ADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781476-B2 Serotonin and melatonergic ligands such as 10-(4-Methylpiperazin-1-ylmethyl)-5-thia-4b-aza-indeno[2,1-a]indene-5,5-dioxide, used for the treatment of psychological disorders, side effect reduction of antipsychotic drugs, neurodegenerative disorders, chemotherapy-induced vomiting and eating disorders SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-24 US disclosed
CN-100378109-C Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2008-04-02 CN disclosed
US-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LIMITED (IN) 2007-06-21 US disclosed
EP-1581538-B1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-02-28 EP disclosed
CN-1729197-A Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2006-02-01 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-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity HTR3A, HTR3C, HTR3B HTR6 9/4885CYP3A4 302/4885CYP2D6 390/4885

“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.