SCHEMBL5544676

SCHEMBL5544676

COCCCCN(C)C(=O)c1cn2c(nc3cc(CN(CCC4CCCO4)C(=O)OC(C)(C)C)ccc32)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
ITK Q08881 8/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CNR2 P34972 2/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32

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
SCHEMBL4693608 0.95 GRM1 (0.46) GRM1ITKMEN1KMT2AGAA
SCHEMBL5539879 0.93 GRM1 (0.41) GRM1MEN1KMT2ANPC1RAB9A
SCHEMBL4693604 0.91 GRM1 (0.53) GRM1MEN1KMT2AHTR2CSLC6A4
SCHEMBL4692988 0.88 GRM1 (0.41) GRM1MEN1KMT2ACNR2GAA
SCHEMBL5544763 0.87 GRM1 (0.41) GRM1MEN1KMT2ACNR2HTR2C
SCHEMBL5539815 0.84 GRM1 (0.38) GRM1ITKMEN1KMT2ANPC1
SCHEMBL4692984 0.84 GRM1 (0.47) GRM1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL5544773 0.83 GRM1 (0.46) GRM1ITKNPC1RAB9ACNR2
Hydrochloric Acid SCHEMBL4691962 0.81 GRM1 (0.46) GRM1ITKNPC1RAB9AGAA
SCHEMBL4692246 0.81 GRM1 (0.39) GRM1MEN1KMT2ACNR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ITK 3595/4885MEN1 2545/4885

“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.