SCHEMBL21039950

SCHEMBL21039950

CC(=O)N1CCN2CCNC[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNB4 P30926 2/20 0.43
HTR6 P50406 1/20 0.42
CHRNA7 P36544 1/20 0.41
CHRNB3 Q05901 2/20 0.36
CHRNA6 Q15825 2/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIK3CD O00329 1/20 0.30

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
SCHEMBL13462187 1.00 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
Trifluoroacetic Acid SCHEMBL20523513 0.90 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
SCHEMBL28356121 0.84 HTR6 (0.43) CHRNB2CHRNA3CHRNA4HTR6CHRNB3
SCHEMBL6903463 0.82 HTR6 (0.39) HTR6HRH3SMN1; SMN2
SCHEMBL6840183 0.82 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
SCHEMBL8145007 0.81 L3MBTL3 (0.41) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
SCHEMBL31209662 0.81 HTR6 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
SCHEMBL13812392 0.81 HTR6 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
SCHEMBL31209536 0.81 HTR6 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
Hydrochloric Acid SCHEMBL6662100 0.80 HTR6 (0.37) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 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-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 CHRNB2 4847/4885CHRNA3 4868/4885CHRNA4 4879/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 CHRNB2 4846/4885CHRNA3 4866/4885CHRNA4 4879/4885

“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.