SCHEMBL2245371

SCHEMBL2245371

COc1cccc(N2CCN(C(=O)[C@@H](CC(C)C)[C@@H]3OC(C)(C)OC3=O)[C@H](C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
PRKG1 Q13976 3/20 0.46
FAAH O00519 5/20 0.45
CYP1A2 P05177 1/20 0.41
LIMK2 P53671 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LIPE Q05469 1/20 0.39
HTR7 P34969 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
KIT P10721 1/20 0.37
IDH1 O75874 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A9 P48067 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37

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
SCHEMBL2249295 0.92 FAAH (0.41) ROCK2PRKG1FAAHCYP1A2LIMK2
SCHEMBL2246304 0.91 FAAH (0.43) ROCK2PRKG1FAAHKMT2AHTR7
SCHEMBL2242144 0.90 MGLL (0.39) KITIDH1CHRM2CHRM1
SCHEMBL2244397 0.88 FAAH (0.42) ROCK2PRKG1FAAHKMT2AHTR7
SCHEMBL2246954 0.88 CTSK (0.43) ROCK2PRKG1FAAHMEN1KMT2A
SCHEMBL2245633 0.86 ROCK2 (0.46) ROCK2PRKG1CYP1A2LIMK2KMT2A
SCHEMBL2247261 0.86 CHRM4 (0.47) ROCK2PRKG1FAAHKMT2ACHRM2
SCHEMBL2247667 0.84 CTSK (0.38) MEN1KMT2AHTR7CHRM2CHRM1
SCHEMBL2247211 0.84 CTSK (0.38) MEN1KMT2ACHRM2CHRM1
SCHEMBL2246930 0.84 CTSB (0.45) CHRM2CHRM1

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 13 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
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 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 (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 ROCK2 2741/4885PRKG1 3780/4885FAAH 88/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ROCK2 2748/4885PRKG1 3915/4885FAAH 73/4885

“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.