SCHEMBL2246370

SCHEMBL2246370

CC(C)C[C@H](C(=O)N1CCN(c2ccc(-c3ccccc3)cn2)C[C@H]1C)[C@H](O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.43
HDAC2 Q92769 2/20 0.43
GRM1 Q13255 4/20 0.41
ACACB O00763 1/20 0.40
WNT3A P56704 2/20 0.39
HDAC3 O15379 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CHRM4 P08173 1/20 0.39
AOC3 Q16853 1/20 0.39
SLC6A7 Q99884 2/20 0.39

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
SCHEMBL2245815 0.91 HDAC1 (0.42) HDAC1HDAC2GRM1ACACBWNT3A
SCHEMBL2252819 0.88 GRM1 (0.41) HDAC1HDAC2GRM1HDAC3CYP2C9
SCHEMBL2246283 0.88 GRM1 (0.41) HDAC1HDAC2GRM1HDAC3CYP2C9
SCHEMBL2249207 0.87 GRM1 (0.53) GRM1CHRM4
SCHEMBL2245166 0.87 GRM1 (0.53) GRM1CHRM4
SCHEMBL2247701 0.86 GAA (0.41) CHRM4AOC3SLC6A7
SCHEMBL3866813 0.84 CHRM2 (0.50) CYP2C9
SCHEMBL2252050 0.84 CHRM2 (0.50) CYP2C9
SCHEMBL27932831 0.81 HDAC1 (0.45) HDAC1HDAC2GRM1ACACBWNT3A
SCHEMBL2245819 0.80 GRM1 (0.48) GRM1CHRM4SLC6A7

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 HDAC1 656/4885HDAC2 604/4885GRM1 3689/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD HDAC1 614/4885HDAC2 575/4885GRM1 3668/4885

“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.