SCHEMBL4694753

SCHEMBL4694753

CN(CC(C)(C)C)C(=O)c1cn2c(nc3cc(CNCC4(C)COC4)ccc32)s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.35
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
PDE1B Q01064 1/20 0.32
ITK Q08881 1/20 0.31
METTL3 Q86U44 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL4694751 0.93 GRM1 (0.42) GRM1OPRM1OPRK1PDE1BITK
SCHEMBL4689711 0.83 GRM1 (0.38) GRM1ITK
Hydrochloric Acid SCHEMBL4692161 0.83 CNR2 (0.39) GRM1ITKMETTL3MCHR1
Hydrochloric Acid SCHEMBL5546328 0.82 GRM1 (0.37) GRM1ITK
SCHEMBL4688067 0.82 GRM1 (0.38) GRM1ITKMETTL3
SCHEMBL7241308 0.81 GRM1 (0.44) GRM1ITKMETTL3
Hydrochloric Acid SCHEMBL7241481 0.80 GRM1 (0.43) GRM1ITKMETTL3
Hydrochloric Acid SCHEMBL4692131 0.80 GRM1 (0.40) GRM1ITKMETTL3
SCHEMBL4693948 0.80 GRM1 (0.40) GRM1ITK
SCHEMBL7233838 0.80 GRM1 (0.43) GRM1ITKMETTL3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP disclosed
US-7250429-B2 Aminomethyl-substituted thiazolobenzimidazole compounds ASTELLAS PHARMA INC. (JP) 2007-07-31 US disclosed
US-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative ASTELLAS PHARMA INC. (JP) 2005-07-07 US disclosed
EP-1486501-A1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-15 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 (1 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-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative GRM1, GRIN1, GRM3 GRM1 1/4885OPRM1 51/4885OPRK1 134/4885

“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.