SCHEMBL25230992

SCHEMBL25230992

CC(C)N(CCNC(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 3/20 0.43
BCHE P06276 1/20 0.43
KDM5B Q9UGL1 1/20 0.40
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 2/20 0.35
GHSR Q92847 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TACR1 P25103 1/20 0.32
POLR1A O95602 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL7175314 0.92 SIGMAR1 (0.42) SIGMAR1CYP2D6CYP2C19ACHEBCHE
SCHEMBL25228495 0.87 CYP2D6 (0.41) SIGMAR1CYP2D6CYP2C19ACHEBCHE
SCHEMBL13298011 0.84 ACHE (0.44) SIGMAR1ACHEBCHEKDM5BALDH1A1
SCHEMBL5258395 0.82 KDM4E (0.46) SIGMAR1ACHEBCHEKDM5BALDH1A1
SCHEMBL5258391 0.80 ACHE (0.42) SIGMAR1ACHEBCHEKDM5BALDH1A1
SCHEMBL6560529 0.80 ACHE (0.42) SIGMAR1ACHEBCHEKDM5BALDH1A1
SCHEMBL10288810 0.78 MEN1 (0.52) SIGMAR1ACHEBCHEKDM5BALDH1A1
SCHEMBL10223245 0.77 ACHE (0.40) SIGMAR1ACHEBCHEKDM5BALDH1A1
SCHEMBL8504329 0.77 DNM1 (0.53) SIGMAR1ACHEBCHEALDH1A1MEN1
Hydrochloric Acid SCHEMBL28704836 0.77 ALDH1A1 (0.45) SIGMAR1ACHEBCHEKDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118829423-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2024-10-22 CN disclosed
EP-4429644-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ModernaTX, Inc. (US) 2024-09-18 EP disclosed
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ARES CAPITAL CORPORATION, AS AGENT 2023-09-14 US disclosed
CN-116348147-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2023-06-27 CN disclosed
EP-4192433-A2 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM Modernatx, Inc. (US) 2023-06-14 EP disclosed
WO-2023086465-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM MODERNATX, INC. (US) 2023-05-19 WO 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-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM CFTR, TSLP, MTREX SIGMAR1 2761/4885CYP2D6 4850/4885CYP2C19 4875/4885

“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.