SCHEMBL2245633

SCHEMBL2245633

COc1ccc(F)c(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 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.46
PRKG1 Q13976 8/20 0.46
CYP1A2 P05177 2/20 0.42
LIMK2 P53671 1/20 0.42
CPS1 P31327 3/20 0.37
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ACACB O00763 1/20 0.35
SLC6A9 P48067 1/20 0.35
KIT P10721 3/20 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
SCHEMBL2246304 0.87 FAAH (0.43) ROCK2PRKG1ALDH1A1MAPTKMT2A
SCHEMBL2246602 0.87 CHRM4 (0.44) ROCK2PRKG1CYP1A2LIMK2CHRM4
SCHEMBL2247017 0.87 CHRM4 (0.44) ROCK2PRKG1CYP1A2LIMK2CHRM4
SCHEMBL2249295 0.86 FAAH (0.41) ROCK2PRKG1CYP1A2LIMK2CHRM4
SCHEMBL2245371 0.86 ROCK2 (0.46) ROCK2PRKG1CYP1A2LIMK2KMT2A
SCHEMBL2244418 0.85 MAPT (0.40) ROCK2PRKG1CYP1A2LIMK2CHRM4
SCHEMBL2244397 0.85 FAAH (0.42) ROCK2PRKG1ALDH1A1LMNAMAPT
SCHEMBL2247261 0.84 CHRM4 (0.47) ROCK2PRKG1CHRM4KMT2AACACB
SCHEMBL2246954 0.81 CTSK (0.43) ROCK2PRKG1CHRM4KMT2A
SCHEMBL2244441 0.81 CHRM2 (0.46) CHRM4

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 ROCK2 2741/4885PRKG1 3780/4885CYP1A2 159/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ROCK2 2748/4885PRKG1 3915/4885CYP1A2 145/4885

“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.