SCHEMBL2826311

SCHEMBL2826311

CC(C)(Oc1ccc(Cl)cn1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.50
CNR1 P21554 4/20 0.46
CNR2 P34972 2/20 0.46
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARA Q07869 1/20 0.40
NNMT P40261 2/20 0.39
PTK2 Q05397 1/20 0.39
LIPE Q05469 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAU P00749 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2824496 0.85 MAP4K4 (0.61) MAP4K4CNR1CNR2MAPTMEN1
SCHEMBL16326512 0.82 KDM4E (0.45) MAP4K4CNR1CNR2MAPTMEN1
SCHEMBL3374716 0.79 PPARA (0.62) MAP4K4CNR1CNR2MAPTCYP1A2
SCHEMBL3584331 0.78 KMT2A (0.51) CNR1CNR2KMT2ALIPE
SCHEMBL13610689 0.77 CYP4F2 (0.39) MAP4K4CNR1CNR2PPARANNMT
SCHEMBL12162568 0.77 CNR1 (0.39) MAP4K4CNR1CNR2MAPTMEN1
SCHEMBL626124 0.74 PPARA (0.70) MAP4K4CNR1MAPTMEN1CYP1A2
SCHEMBL28938017 0.74 ADRA2A (0.43) MAPTNNMTPTK2LIPEADRA2A
SCHEMBL28504688 0.72 DGAT1 (0.59) LIPE
Hydrochloric Acid SCHEMBL2830491 0.72 ABCB11 (0.40) MAP4K4CNR1CNR2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 MAP4K4 809/4885CNR1 974/4885CNR2 849/4885

“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.