SCHEMBL1109808

SCHEMBL1109808

CN(CCCCCCCCCO)Cc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.38
CHRM2 P08172 12/20 0.36
CHRM4 P08173 12/20 0.36
CHRM1 P11229 12/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
CHRM5 P08912 9/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14290902 0.99 ALDH1A1 (0.37) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL13093510 0.91 CHRM3 (0.39) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL12855714 0.90 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL12855710 0.90 CHRM3 (0.36) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1109817 0.89 CHRM3 (0.36) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL4725876 0.88 ALDH1A1 (0.35) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL4726344 0.88 ALDH1A1 (0.35) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1109851 0.87 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1109850 0.87 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL1110599 0.87 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM1ALDH1A1

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 15 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
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
EP-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO 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 CHRM3 1/4885CHRM2 2/4885CHRM4 11/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CHRM3 1/4885CHRM2 12/4885CHRM4 44/4885

“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.