SCHEMBL1945834

SCHEMBL1945834

O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.85
HTR2C P28335 9/20 0.71
HTR2B P41595 4/20 0.71
DRD2 P14416 6/20 0.62
DRD3 P35462 6/20 0.62
HTR2A P28223 6/20 0.62
MLNR O43193 3/20 0.62
GHSR Q92847 1/20 0.58
KCNA1 Q09470 1/20 0.57
KCNAB1 Q14722 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL5781306 0.92 HTR6 (1.00) HTR6HTR2CHTR2BDRD2DRD3
SCHEMBL6364800 0.88 HTR2C (0.72) HTR6HTR2CHTR2BDRD2DRD3
SCHEMBL3353772 0.85 HTR6 (0.62) HTR6HTR2CHTR2BDRD2DRD3
Hydrochloric Acid SCHEMBL6365049 0.84 HTR6 (0.64) HTR6HTR2CHTR2BDRD2DRD3
SCHEMBL10357482 0.84 HTR6 (0.84) HTR6HTR2CHTR2BDRD2DRD3
SCHEMBL7452220 0.84 HTR6 (0.84) HTR6HTR2CHTR2BDRD2DRD3
SCHEMBL1946627 0.84 LMNA (0.77) HTR6HTR2CHTR2BDRD2DRD3
Hydrochloric Acid SCHEMBL10563577 0.83 HTR6 (0.82) HTR6HTR2CHTR2BDRD2DRD3
SCHEMBL6365855 0.81 PNMT (0.80) HTR6HTR2CHTR2BDRD2DRD3
SCHEMBL1960175 0.81 HTR6 (0.70) HTR6HTR2CHTR2BDRD2DRD3

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
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
EP-2069309-A1 ION CHANNEL MODULATORS&USES THEREOF Lectus Therapeutics Limited (GB) 2009-06-17 EP disclosed
EP-2066317-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES Lectus Therapeutics Limited (GB) 2009-06-10 EP disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO disclosed
WO-2008038053-A1 ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 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 (2 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-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 HTR6 582/4885HTR2C 433/4885HTR2B 574/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A HTR6 696/4885HTR2C 621/4885HTR2B 655/4885

“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.