SCHEMBL12744970

SCHEMBL12744970

CC(C)N(C)CCOc1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.75
CHRNA4 P43681 6/20 0.75
GBA1 P04062 1/20 0.43
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL29784945 0.83 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL12827198 0.83 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL22831347 0.83 CHRNB2 (0.87) CHRNB2CHRNA4
SCHEMBL12744959 0.80 LTA4H (0.58) CHRNB2CHRNA4KCNH2
SCHEMBL7105377 0.79 CHRNB2 (0.84) CHRNB2CHRNA4
SCHEMBL7101849 0.78 CHRNB2 (0.81) CHRNB2CHRNA4
SCHEMBL11894508 0.77 CHRNB2 (0.64) CHRNB2CHRNA4
SCHEMBL30338591 0.74 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL171896 0.74 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL14396218 0.74 CHRNB2 (0.60) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 US 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-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 CHRNB2 4797/4885CHRNA4 4555/4885GBA1 3230/4885

“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.