SCHEMBL1109841

SCHEMBL1109841

CN(C)CCc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.42
CHRM3 P20309 13/20 0.39
CHRM2 P08172 12/20 0.39
CHRM4 P08173 12/20 0.39
CHRM1 P11229 12/20 0.39
CHRM5 P08912 10/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1109856 0.99 POLB (0.44) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL13329443 0.88 ALDH1A1 (0.40) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL3218882 0.88 ALDH1A1 (0.40) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL1109822 0.88 ALDH1A1 (0.40) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL4786069 0.87 CHRM3 (0.39) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL4786064 0.87 CHRM3 (0.39) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL3226330 0.87 CHRM3 (0.39) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL3226320 0.87 CHRM3 (0.39) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL1109790 0.87 CHRM3 (0.41) ALDH1A1POLBCHRM3CHRM2CHRM4
SCHEMBL1109780 0.87 CHRM3 (0.41) ALDH1A1POLBCHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 CN disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
CN-101282949-A Azole and thiazole derivatives and their use ARGENTA DISCOVERY LTD (GB) 2008-10-08 CN disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 ALDH1A1 2263/4885POLB 4496/4885CHRM3 1/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 ALDH1A1 900/4885POLB 4612/4885CHRM3 1/4885

“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.