SCHEMBL6407593

SCHEMBL6407593

CC(C)(C)O[13C](=O)N(CCOc1ccc([N+](=O)[O-])cc1)CC(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
ACHE P22303 3/20 0.37
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ADRB3 P13945 1/20 0.34
MAPT P10636 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL6343469 1.00 KCNH2 (0.40) KCNH2ACHESLC6A4ALDH1A1ADRB3
SCHEMBL6391154 0.89 ADRB3 (0.39) KCNH2ALDH1A1ADRB3MAPT
SCHEMBL6337763 0.83 SSTR4 (0.41) ADRB3
SCHEMBL21278553 0.77 ADRB3 (0.39) ADRB3MAPT
SCHEMBL16682352 0.76 KCNH2 (0.60) KCNH2ACHESLC6A4MAPTCRHBP
SCHEMBL6335185 0.75 ADRB3 (0.42) ADRB3MAPT
SCHEMBL6181736 0.73 KCNH2 (0.57) KCNH2ACHESLC6A4ALDH1A1MAPT
SCHEMBL6247395 0.72 KCNH2 (0.56) KCNH2MAPTCRHBPCRHR2
SCHEMBL12925089 0.72 KCNH2 (0.55) KCNH2ALDH1A1MAPTCRHBPCRHR2
SCHEMBL6404141 0.71 ADRB3 (0.51) ADRB3MAPT

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
US-6939867-B2 Phenyl sulfamide derivatives as dietetics, antidiabetics, and hypotensive agents PFIZER INC. (US) 2005-09-06 US disclosed
US-20020128247-A1 Beta3 agonists and uses thereof DOW ROBERT L (US) 2002-09-12 US disclosed
EP-1236723-A1 Sulfamide derivatives useful as beta3 agonists and pharmaceutical uses thereof Pfizer Products Inc. (US) 2002-09-04 EP 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-20020128247-A1 Beta3 agonists and uses thereof ADRB3, ADRB1, ADRB2 KCNH2 2353/4885ACHE 1756/4885SLC6A4 271/4885

“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.