SCHEMBL22280333

SCHEMBL22280333

C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCc3cn(nn3)CCCC(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C2CCCN2C(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA10 Q9GZZ6 3/20 0.64
CHRNA9 Q9UGM1 3/20 0.64
CHRNA7 P36544 1/20 0.64
KLK5 Q9Y337 8/20 0.58
ACE P12821 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
F12 P00748 4/20 0.55
KLKB1 P03952 1/20 0.54

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
SCHEMBL22195325 1.00 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195319 1.00 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195358 0.99 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195340 0.99 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195300 0.98 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195295 0.97 CHRNA10 (0.65) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195331 0.96 CHRNA10 (0.59) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195320 0.96 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195342 0.96 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE
SCHEMBL22195324 0.96 CHRNA10 (0.64) CHRNA10CHRNA9CHRNA7KLK5ACE

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-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS KINETA CHRONIC PAIN, LLC (US) 2020-07-30 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-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS CHRNG, CHRNA9, CHRNA10 CHRNA10 3/4885CHRNA9 2/4885CHRNA7 8/4885

“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.