SCHEMBL21164656

SCHEMBL21164656

C=CCNCC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 2/20 0.36
KDM1A O60341 1/20 0.36
TSHR P16473 1/20 0.36
HDAC2 Q92769 1/20 0.36
CNR2 P34972 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
FAAH O00519 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 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
SCHEMBL13793493 0.77
SCHEMBL21164655 0.76 FAAH (0.40) KDM4ESMN1; SMN2MAPTTSHRCNR2
SCHEMBL2343053 0.74 TSHR (0.58) KDM4ESMN1; SMN2MAPTTSHRGAA
SCHEMBL9965485 0.74 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKDM1AHDAC2NPC1
SCHEMBL18181899 0.73 FAAH (0.43) KDM4ESMN1; SMN2MAPTTSHRFAAH
SCHEMBL18867055 0.72 LMNA (0.41) SMN1; SMN2MAPTKDM1ATSHRHDAC2
SCHEMBL8375417 0.72 ALDH1A1 (0.46) SMN1; SMN2MAPTKDM1ATSHRHDAC2
SCHEMBL13354157 0.72
SCHEMBL12057388 0.71 HDAC2 (0.41) SMN1; SMN2MAPTTSHRHDAC2CNR2
SCHEMBL12669780 0.71 SMN1; SMN2 (0.43) SMN1; SMN2MAPTTSHRNPC1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 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 (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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 KDM4E 1755/4885SMN1; SMN2 4517/4885MAPT 3197/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885SMN1; SMN2 4517/4885MAPT 3197/4885

“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.