SCHEMBL2190101

SCHEMBL2190101

CNC(C)(C(N)=O)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.30
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL8994793 0.77 ALDH1A1 (0.36) PIK3CD
SCHEMBL19369915 0.77 PIK3CD (0.31) PIK3CD
SCHEMBL5448855 0.77 ALDH1A1 (0.36) PIK3CD
SCHEMBL5448849 0.77 ALDH1A1 (0.36) PIK3CD
SCHEMBL9333241 0.76 CNR2 (0.33) PIK3CD
SCHEMBL10635161 0.75 PKM (0.31)
SCHEMBL10635153 0.75 DPP4 (0.32)
SCHEMBL27692277 0.74 CNR2 (0.31)
SCHEMBL23033819 0.73 DGAT1 (0.43)
SCHEMBL28009355 0.72 CNR2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172422-A1 Methods of Making Pharmacokinetically Improved Compounds Comprising Functional Residues or Groups and Pharmaceutical Compositions Comprising Said Compounds SURFACE LOGIX, INC. (US) 2011-07-14 US disclosed
US-20100093719-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2010-04-15 US disclosed
CN-101287468-A Methods of making pharmacokinetically improved compounds comprising functional residues or groups and pharmaceutical compositions comprising said compounds SURFACE LOGIX INC (US) 2008-10-15 CN disclosed
US-20080176844-A1 Pharmacokinetically Improved Compounds SURFACE LOGIX, INC. 2008-07-24 US disclosed
CN-101223171-A Pharmacokinetic improved compounds SURFACE LOGIX INC (US) 2008-07-16 CN disclosed
EP-1850853-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-11-07 EP disclosed
EP-1848437-A2 METHODS OF MAKING PHARMACOKINETICALLY IMPROVED COMPOUNDS COMPRISING FUNCTIONAL RESIDUES OR GROUPS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS Surface Logix, Inc. (US) 2007-10-31 EP disclosed
WO-2006089276-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-08-24 WO disclosed
WO-2006089275-A2 METHODS OF MAKING PHARMACOKINETICALLY IMPROVED COMPOUNDS COMPRISING FUNCTIONAL RESIDUES OR GROUPS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS SURFACE LOGIX, INC. (US) 2006-08-24 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 (3 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-20110172422-A1 Methods of Making Pharmacokinetically Improved Compounds Comprising Functional Residues or Groups and Pharmaceutical Compositions Comprising Said Compounds ABCG2, CYP3A5, CYP3A43 PIK3CD 4249/4885NOS1 2805/4885NOS3 2088/4885
US-20100093719-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC7A1, HRH4 PIK3CD 4744/4885NOS1 647/4885NOS3 621/4885
US-20080176844-A1 Pharmacokinetically Improved Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC7A1, HRH4 PIK3CD 4744/4885NOS1 647/4885NOS3 621/4885

“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.