SCHEMBL22446850

SCHEMBL22446850

CC(=O)CCC(C)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 14/20 0.54
▸ CHRNA4 P43681 14/20 0.54
▸ CHRNB4 P30926 12/20 0.54
▸ CHRNA3 P32297 10/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23463665 0.86 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL247201 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26004047 0.78 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23771190 0.78 CHRNB2 (0.76) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL24230520 0.75 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23771192 0.75 TSHR (0.50) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16846175 0.74 — —
SCHEMBL19546492 0.73 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL27432649 0.73 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4ALDH1A1
SCHEMBL2736112 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3

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-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 — — US disclosed
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 — — 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 (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-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CHRNB2 3189/4885CHRNA4 4028/4885CHRNB4 3883/4885
US-10781204-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 CHRNB2 3099/4885CHRNA4 4038/4885CHRNB4 3958/4885

“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.

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