SCHEMBL1114917

SCHEMBL1114917

CC(CC(=O)O)C(=O)N(C)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
CYP2C9 P11712 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL12679980 0.87 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL1114735 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL1114964 0.84 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL1114983 0.81 CYP3A4 (0.49) GABBR2GABBR1CYP2C9LMNAMEN1
SCHEMBL1114773 0.79 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4GABBR2
SCHEMBL24339824 0.79 MLYCD (0.56) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL12679878 0.79 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CYP2C9
SCHEMBL13468593 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL28394955 0.76 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CYP2C9
SCHEMBL8771950 0.76 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756039-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2012-10-17 EP disclosed
EP-1756039-B1 Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2012-10-17 EP disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 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-20080255250-A1 Compounds and Compositions for Delivering Active Agents SERPINB1, ELANE, MMP8 CHRNB2 2687/4885CHRNB4 2926/4885CHRNA3 4153/4885

“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.