SCHEMBL4416491

SCHEMBL4416491

COc1ccc(S(=O)(=O)Nc2ccccc2)cc1N1CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.80
HTR7 P34969 2/20 0.66
HTR4 Q13639 1/20 0.66
HTR1A P08908 1/20 0.64
HTR2C P28335 1/20 0.64
HTR2B P41595 1/20 0.64

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
SCHEMBL6187833 0.89 HTR6 (1.00) HTR6HTR7HTR4
SCHEMBL6185827 0.89 HTR6 (0.84) HTR6HTR7HTR4HTR1AHTR2C
SCHEMBL6187019 0.88 HTR6 (1.00) HTR6HTR7HTR1AHTR2CHTR2B
SCHEMBL6184883 0.88 HTR6 (1.00) HTR6HTR7HTR4
SCHEMBL6188309 0.88 HTR6 (1.00) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6186936 0.88 HTR6 (0.82) HTR6HTR7HTR4HTR1AHTR2C
Hydrochloric Acid SCHEMBL6186589 0.88 HTR6 (0.98) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6191265 0.87 HTR6 (0.98) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6188087 0.87 HTR6 (0.98) HTR6HTR7HTR1AHTR2CHTR2B
SCHEMBL6190119 0.87 HTR6 (0.77) HTR6HTR7HTR4HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054489-A1 Multimediator Dopamine Transport Inhibitors, and Uses Related Thereto PREXA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
EP-1893202-A2 MULTIMEDIATOR DOPAMINE TRANSPORT INHIBITORS, AND USES RELATED THERETO PREXA PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
WO-2006091702-A2 MULTIMEDIATOR DOPAMINE TRANSPORT INHIBITORS, AND USES RELATED THERETO PSYCHENOMICS, INC. (US) 2006-08-31 WO 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-20090054489-A1 Multimediator Dopamine Transport Inhibitors, and Uses Related Thereto SLC6A2, SLC6A3, SLC6A4 HTR6 14/4885HTR7 17/4885HTR4 13/4885

“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.