SCHEMBL2250292

SCHEMBL2250292

CC(C)C[C@H](C(=O)N1CCN(c2ncccn2)C[C@H]1C)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.45
SLC6A7 Q99884 2/20 0.43
CHRM4 P08173 6/20 0.40
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.34
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKG1 Q13976 1/20 0.34

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
SCHEMBL2243966 0.90 CHRM4 (0.42) GRM1CHRM4TNFCHRM2CHRM1
SCHEMBL2244620 0.89 GRM1 (0.48) GRM1CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL2248312 0.89 GRM1 (0.48) GRM1CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL2247206 0.89 GRM1 (0.48) GRM1CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL8271406 0.89 GRM1 (0.48) GRM1CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL2249244 0.85 LMNA (0.42) KDM4EALDH1A1SMN1; SMN2TDP1HSD17B10
SCHEMBL2552704 0.85 LMNA (0.42) KDM4EALDH1A1SMN1; SMN2TDP1HSD17B10
SCHEMBL2246743 0.84 GPBAR1 (0.38) GRM1TSHRCHRM2CHRM1ROCK2
SCHEMBL2247211 0.83 CTSK (0.38) SLC6A7CHRM4SMN1; SMN2CHRM2CHRM1
SCHEMBL2247667 0.83 CTSK (0.38) CHRM4CHRM2CHRM1

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed
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 GRM1 3689/4885SLC6A7 1862/4885CHRM4 1379/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD GRM1 3668/4885SLC6A7 1866/4885CHRM4 1486/4885

“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.