SCHEMBL29313405

SCHEMBL29313405

C=C(C)N1CCN(C(=O)C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
PIK3CD O00329 1/20 0.36
MET P08581 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP1A2 P05177 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GLA P06280 1/20 0.34
NAMPT P43490 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL22753493 0.85 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL674660 0.85
SCHEMBL4546617 0.85 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8512701 0.81 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1911539 0.81 CYP1A2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL772190 0.79 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24501964 0.78 CHRM3 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23568316 0.78 PIK3CD (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7863270 0.77
SCHEMBL2048086 0.76 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CHRNB2 2614/4885CHRNA3 3452/4885CHRNA4 2597/4885

“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.