SCHEMBL22828283

SCHEMBL22828283

CC[C@H](C(=O)NCCCNCCCCNCCCN)N(CC(=O)NCCCNCCCCNCCCN)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.43
▸ CHRNB4 P30926 3/20 0.43
▸ CHRNA3 P32297 3/20 0.43
▸ CHRNA4 P43681 3/20 0.43
▸ GRIA1 P42261 4/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ CHRND Q07001 1/20 0.42
▸ GRM1 Q13255 1/20 0.42

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
SCHEMBL22828308 0.88 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL22828142 0.74 ALDH1A1 (0.38) —
SCHEMBL22828137 0.74 DPP7 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22828284 0.73 MMP2 (0.41) —
SCHEMBL18559758 0.71 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL22203843 0.67 PAOX (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL22828141 0.67 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22203854 0.66 MEN1 (0.65) GRIA1
SCHEMBL22171084 0.66 PAOX (0.47) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL22171086 0.66 PAOX (0.47) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1

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-11377420-B2 Compositions and methods for making donor-acceptor azetines BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-05 — — US disclosed
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-24 — — 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-11377420-B2 Compositions and methods for making donor-acceptor azetines AZI2, AAAS, ZRANB2 CHRNB2 1822/4885CHRNB4 2826/4885CHRNA3 2108/4885
US-20200399214-A1 COMPOSITIONS AND METHODS FOR MAKING DONOR-ACCEPTOR AZETINES AZI2, AAAS, ZRANB2 CHRNB2 1822/4885CHRNB4 2826/4885CHRNA3 2108/4885

“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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