SCHEMBL6075627

SCHEMBL6075627

CS(=O)(=O)OC1CN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.49
MAPT P10636 9/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.45
ADRB1 P08588 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2126451 0.89 MAPT (0.51) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6161538 0.89 MAPT (0.51) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6133189 0.86 MAPT (0.56) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL21410680 0.78 BPTF (0.42) ALDH1A1ADRB1CYP2C9CYP2C19
SCHEMBL6598995 0.78 ALDH1A1 (0.39) SIRT6MAPTALDH1A1LMNAMEN1
SCHEMBL27938419 0.77 MAPT (0.52) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL3549925 0.76 MAPT (0.58) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL5723979 0.74 ALDH1A1 (0.47) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL31224628 0.73 MAPT (0.51) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6606878 0.73 MAPT (0.61) SIRT6MAPTALDH1A1POLBADRB1

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
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SIRT6 4036/4885MAPT 565/4885ALDH1A1 1091/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SIRT6 4036/4885MAPT 565/4885ALDH1A1 1091/4885

“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.