SCHEMBL917869

SCHEMBL917869

O=S(=O)(O)CCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.67
CYP2D6 P10635 1/20 0.61
SIGMAR1 Q99720 4/20 0.59
HTR1A P08908 7/20 0.58
DRD2 P14416 5/20 0.58
HTR2A P28223 2/20 0.58
HTR7 P34969 2/20 0.58
DRD3 P35462 2/20 0.58
HRH1 P35367 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
DRD4 P21917 1/20 0.56

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
SCHEMBL9484863 0.92 KCNH2 (0.59) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL9483832 0.87 KCNH2 (0.74) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL10899538 0.85 DRD2 (0.50) KCNH2HTR1ADRD2HTR2AHTR7
SCHEMBL9483819 0.84 HTR1A (0.56) HTR1ADRD2DRD3DRD4
SCHEMBL918001 0.84 DRD2 (0.61) KCNH2SIGMAR1HTR1ADRD2HTR2A
SCHEMBL917906 0.84 DRD2 (0.57) SIGMAR1HTR1ADRD2HTR2AHTR7
SCHEMBL13255330 0.83 CCR3 (0.59) SIGMAR1HTR7DRD4
SCHEMBL5988317 0.82 KCNH2 (0.88) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL9484247 0.82 KDM4E (0.59) HTR1ADRD2DRD3DRD4
SCHEMBL9484706 0.81 HRH3 (0.56) DRD2HTR2ADRD4

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278008-B1 TAURINE TYPE COMPOUNDS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-01-20 EP claimed
EP-0278008-A1 TAURINE TYPE COMPOUNDS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-08-17 EP claimed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
EP-1644325-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2006-04-12 EP disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2005-05-05 US disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
WO-2004113275-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
EP-0278008-B1 TAURINE TYPE COMPOUNDS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-01-20 EP disclosed
US-4870078-A TAURINE-TYPE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0278008-A1 TAURINE TYPE COMPOUNDS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-08-17 EP 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 (4 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-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS KCNH2 3229/4885CYP2D6 110/4885SIGMAR1 3298/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KCNH2 3255/4885CYP2D6 3675/4885SIGMAR1 3888/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KCNH2 3255/4885CYP2D6 3675/4885SIGMAR1 3888/4885
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 KCNH2 3255/4885CYP2D6 3675/4885SIGMAR1 3888/4885

“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.