SCHEMBL2856103

SCHEMBL2856103

CCCc1ccc(N2CCCNCC2)c(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.40
HTR2A P28223 2/20 0.40
HTR6 P50406 6/20 0.38
IKBKB O14920 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
NCF1 P14598 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL2851143 0.95 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6DRD2
Hydrochloric Acid SCHEMBL7296037 0.94 HTR6 (0.42) HTR2CHTR2BHTR2AHTR6DRD2
Water SCHEMBL4080356 0.84 HTR6 (0.47) HTR2CHTR2BHTR2AHTR6DRD2
Caldaret SCHEMBL1650574 0.75 ALDH1A1 (0.52) HTR2CHTR2AHTR6HTR1A
Caldaret SCHEMBL2853338 0.74 ALDH1A1 (0.51) HTR2CHTR2AHTR6HTR1A
Caldaret SCHEMBL3139412 0.74 ALDH1A1 (0.51) HTR2CHTR2AHTR6HTR1A
Caldaret SCHEMBL29711318 0.74 ALDH1A1 (0.51) HTR2CHTR2AHTR6HTR1A
Caldaret SCHEMBL3135751 0.74 ALDH1A1 (0.51) HTR2CHTR2AHTR6HTR1A
SCHEMBL24592918 0.74 HTR2C (0.52) HTR2CHTR2BHTR2AHTR6DRD2
SCHEMBL24451858 0.73 HTR6 (0.46) HTR2CHTR2BHTR2AHTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114000-A1 Suppressor of excess accumulation of intracellular sodium ions SATOU NAOYA 2008-05-15 US claimed
US-20070270409-A1 Medicament for Preventing and/or Treating Ischemic Cardiovascular Disease MITSUBISHI PHARMA CORPORATION (JP) 2007-11-22 US claimed
EP-1723955-A1 MEDICINE FOR PREVENTION AND/OR TREATMENT OF ISCHEMIC CIRCULATORY DISEASE Mitsubishi Pharma Corporation (JP) 2006-11-22 EP claimed
US-20060167013-A1 Inhibitors for excessive accumulation of sodium ion in cells MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-07-27 US claimed
US-20050124632-A1 Remedies and/or preventives for diabetic ischemic heart diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-06-09 US claimed
US-20050004139-A1 Pharmaceutical preparations containing aminobenzene-sulfonic acid derivatives as the active ingredient MITSUBISHI PHARMA CORPORATION (JP) 2005-01-06 US claimed
US-20040259861-A1 Medicament inhibiting sodium/calcium exchange system MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-12-23 US claimed
EP-1249245-B1 REMEDIES AND/OR PREVENTIVES FOR NERVOUS SYSTEM DISORDERS MITSUBISHI PHARMA CORP (JP) 2004-12-15 EP claimed
EP-1419775-A1 PHARMACEUTICAL PREPARATIONS CONTAINING AMINOBENZENE-SULFONIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT Mitsubishi Pharma Corporation (JP) 2004-05-19 EP claimed
EP-1409080-A1 MEDICAMENT INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM Mitsubishi Pharma Corporation (JP) 2004-04-21 EP claimed
EP-1374868-A1 REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES Mitsubishi Pharma Corporation (JP) 2004-01-02 EP claimed
US-20030114427-A1 Remedies and/or preventives for nervous system disorders MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-06-19 US claimed
WO-2003009897-A1 MEDICAMENT INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM MITSUBISHI PHARMA CORPORATION (JP) 2003-02-06 WO claimed
EP-1249245-A1 REMEDIES AND/OR PREVENTIVES FOR NERVOUS SYSTEM DISORDERS Mitsubishi Pharma Corporation (JP) 2002-10-16 EP claimed
EP-0390654-B1 Aminobenzenesulfonic acid derivative MITSUBISHI CHEM IND (JP) 1994-11-09 EP claimed
US-5053409-A Calcium chanel blockers, antiischemic agent MITSUBISHI KASEI CORPORATION (JP) 1991-10-01 US claimed
EP-0390654-A1 Aminobenzenesulfonic acid derivative Mitsubishi Chemical Corporation (JP) 1990-10-03 EP claimed
US-7652017-B2 Remedies and/or preventives for nervous system disorders MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-01-26 US disclosed
US-5053409-A Calcium chanel blockers, antiischemic agent MITSUBISHI KASEI CORPORATION (JP) 1991-10-01 US disclosed
EP-0390654-A1 Aminobenzenesulfonic acid derivative Mitsubishi Chemical Corporation (JP) 1990-10-03 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 (7 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-20040259861-A1 Medicament inhibiting sodium/calcium exchange system ATP2A1, ATP2A3, ATP2A2 HTR2C 2298/4885HTR2B 3012/4885HTR2A 2800/4885
US-20070270409-A1 Medicament for Preventing and/or Treating Ischemic Cardiovascular Disease FABP3, TNNI3, TNNT2 HTR2C 4319/4885HTR2B 2486/4885HTR2A 4191/4885
US-20050124632-A1 Remedies and/or preventives for diabetic ischemic heart diseases SLC5A1, FABP3, IAPP HTR2C 4286/4885HTR2B 1786/4885HTR2A 3530/4885
US-20080114000-A1 Suppressor of excess accumulation of intracellular sodium ions ATP2A1, ATP2A2, ATP2A3 HTR2C 4807/4885HTR2B 4524/4885HTR2A 4437/4885
US-20050004139-A1 Pharmaceutical preparations containing aminobenzene-sulfonic acid derivatives as the active ingredient SI, NPPA, ATP6V1B1 HTR2C 2011/4885HTR2B 152/4885HTR2A 1272/4885
US-20030114427-A1 Remedies and/or preventives for nervous system disorders CHERP, ATP2A1, ATP2A3 HTR2C 3625/4885HTR2B 3885/4885HTR2A 1959/4885
US-20060167013-A1 Inhibitors for excessive accumulation of sodium ion in cells TNNI3, ATP2A1, SLC8B1 HTR2C 4839/4885HTR2B 4429/4885HTR2A 4590/4885

“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.