SCHEMBL5841799

SCHEMBL5841799

Cc1cc(/C=C/CC(C)NC(=O)OC(C)(C)C)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.39
CTSK P43235 2/20 0.36
MAPKAPK2 P49137 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
TRPA1 O75762 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 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
SCHEMBL5841809 1.00 AAK1 (0.39) AAK1CTSKMAPKAPK2CHRNB2CHRNA4
SCHEMBL3011552 0.79 AAK1 (0.36) AAK1
SCHEMBL3011557 0.79 AAK1 (0.36) AAK1
SCHEMBL10399063 0.75 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL10399064 0.75 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL5199250 0.74 CTSK (0.38) AAK1CTSKCHRNB2CHRNA4TRPA1
SCHEMBL5199252 0.74 CTSK (0.38) AAK1CTSKCHRNB2CHRNA4TRPA1
SCHEMBL5196577 0.69 CTSK (0.67) CTSKCA1CA2CA4CA7
SCHEMBL2837459 0.69 CTSK (0.50) CTSKCA1CA2CA7
SCHEMBL2837458 0.69 CTSK (0.50) CTSKCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060826-B2 Compounds capable of activating cholinergic receptors TARGAEEPT, INC. (US) 2006-06-13 US disclosed
US-20050282846-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAN S 2005-12-22 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-20050282846-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 AAK1 2507/4885CTSK 3324/4885MAPKAPK2 994/4885

“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.