SCHEMBL2248062

SCHEMBL2248062

CC(C)C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[C@H]1OC(C)(C)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 8/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.48
ADRB2 P07550 1/20 0.47
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
PANK3 Q9H999 1/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2252896 1.00 KDM4E (0.55) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2249244 0.88 LMNA (0.42) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2552704 0.88 LMNA (0.42) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL8271406 0.87 GRM1 (0.48) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2248312 0.87 GRM1 (0.48) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2244620 0.87 GRM1 (0.48) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2247206 0.87 GRM1 (0.48) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2550594 0.85 PANK3 (0.46) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2249362 0.85 PANK3 (0.46) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL2550452 0.85 PANK3 (0.46) KDM4EALDH1A1NPSR1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US claimed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US claimed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD KDM4E 2539/4885ALDH1A1 354/4885NPSR1 495/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD KDM4E 2486/4885ALDH1A1 313/4885NPSR1 550/4885

“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.