SCHEMBL21164616

SCHEMBL21164616

CC(C)NCC(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
POLB P06746 3/20 0.39
HDAC2 Q92769 1/20 0.39
PIK3CD O00329 1/20 0.36
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 1/20 0.34
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL25091539 0.79 PIK3CD (0.32) PIK3CDDPP4
SCHEMBL18743849 0.79 MAPT (0.36) MAPTPOLBHDAC2PIK3CDKDM1A
SCHEMBL8254754 0.78 CA14 (0.38) MAPTPOLBHDAC2PIK3CDKDM1A
SCHEMBL23551694 0.78 PIK3CD (0.32) PIK3CDDPP4
SCHEMBL17788537 0.78 DRD2 (0.34) POLBALDH1A1GAA
SCHEMBL8013070 0.76 MAPT (0.46) MAPTPOLBHDAC2PIK3CDSMN1; SMN2
SCHEMBL21164617 0.75 MEN1 (0.37) POLBALDH1A1DPP4LMNA
SCHEMBL21164763 0.75 ALDH1A1 (0.49) POLBALDH1A1LMNA
SCHEMBL5692270 0.74 HDAC2 (0.47) MAPTPOLBHDAC2PIK3CDKDM1A
SCHEMBL5692266 0.74 HDAC2 (0.47) MAPTPOLBHDAC2PIK3CDKDM1A

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-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2023-05-23 US disclosed
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
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 (4 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 MAPT 3197/4885POLB 3520/4885HDAC2 1335/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 MAPT 2198/4885POLB 4390/4885HDAC2 148/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 MAPT 3197/4885POLB 3520/4885HDAC2 1335/4885
US-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof DDR2, DDR1, DOCK2 MAPT 2707/4885POLB 1684/4885HDAC2 926/4885

“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.