Ether

Ether

SCHEMBL5135488

CCCCCCC(Cl)(Cl)Cl.CCOCC

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
FDPS P14324 10/20 0.38
SMPD1 P17405 5/20 0.38
ALDH1A1 P00352 1/20 0.36
GGPS1 O95749 6/20 0.35
CES1 P23141 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
SCHEMBL55151 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL16970225 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL349512 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL16969619 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL16180459 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL2833675 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL16970217 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL16969980 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL665460 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL11370224 0.87 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 EP disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 US disclosed
US-6632418-B2 Therapy for asthma, sexual disorders, hypotensive agents, analgesics ABBOTT LABORATORIES 2003-10-14 US disclosed
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators ABBOTT LABORATORIES 2003-04-03 US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2003011869-A1 RADIOLIGANDS AND THEIR USE FOR IDENTIFYING POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2003-02-13 WO disclosed
EP-1124828-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
US-6191140-B1 POTASSIUM CHANNEL MODULATORS; MUSCLE RELAXANTS; CONTROLLING CELL MEMBRANES ABBOTT LABORATORIES 2001-02-20 US disclosed
EP-0482208-B1 PYRIDAZINONE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2000-07-19 EP disclosed
WO-2000024743-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
US-5318968-A Antithrombotic agents; cardiotonic agents; vasodilators NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-06-07 US disclosed
US-5314883-A Vasodilation, anticoagulants NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-05-24 US disclosed
US-5202323-A Antithrombotic, inotropic, vasodilator, antiallergen NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-13 US disclosed
EP-0482208-A1 PYRIDAZINONE DERIVATIVE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-04-29 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 (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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 TSHR 2656/4885THRB 1709/4885FDPS 1413/4885
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators KCNN3, KCNN1, KCNN2 TSHR 467/4885THRB 421/4885FDPS 3191/4885

“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.