SCHEMBL29310098

SCHEMBL29310098

CC(C)c1ccc(N2CCNC3(CC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRND Q07001 1/20 0.39
SOS1 Q07889 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 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
SCHEMBL12354679 0.91 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL12354678 0.87 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL12354677 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL11961574 0.82 ADRB1 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL16853414 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL31713251 0.79 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL29310678 0.78 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
Hydrochloric Acid SCHEMBL16540236 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL30047809 0.76 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL20884025 0.75 ADRB1 (0.48) MEN1KMT2AALDH1A1MAPTMAPK1

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B CHRNB2 4712/4885CHRNA4 4862/4885CHRNB4 4781/4885

“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.