SCHEMBL2245486

SCHEMBL2245486

CC(C)C[C@H](C(=O)N1CCN(c2ccc3occc3c2)C[C@H]1C)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CTSK P43235 6/20 0.35
MMP2 P08253 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
CHRNA7 P36544 3/20 0.34
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
PHGDH O43175 1/20 0.33
ROCK2 O75116 1/20 0.32
PRKG1 Q13976 1/20 0.32
AKT1 P31749 2/20 0.32
AKT3 Q9Y243 2/20 0.32
AKT2 P31751 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR3A P46098 1/20 0.32

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 0.85 FAAH (0.41) TAS1R3TAS1R1CHRM1CHRM2ROCK2
SCHEMBL2249177 0.85 CHRM2 (0.49) CHRM1CHRM2CTSKCTSBCTSS
SCHEMBL2247667 0.85 CTSK (0.38) CHRM1CHRM2CTSK
SCHEMBL2247211 0.85 CTSK (0.38) CHRM1CHRM2CTSKAKT1AKT3
SCHEMBL2246930 0.84 CTSB (0.45) TAS1R3TAS1R1CHRM1CHRM2CTSK
SCHEMBL2246936 0.84 CTSK (0.39) CHRM1CHRM2CTSKCTSBCTSS
SCHEMBL2246954 0.84 CTSK (0.43) CHRM1CHRM2CTSKCTSBCTSS
SCHEMBL2242144 0.83 MGLL (0.39) CHRM1CHRM2ADAMTS5
SCHEMBL2246304 0.82 FAAH (0.43) CTSKROCK2PRKG1
SCHEMBL2244373 0.82 CTSK (0.40) CHRM1CHRM2CTSK

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 11 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
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO 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 TAS1R3 4158/4885TAS1R1 3750/4885CHRM1 767/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD TAS1R3 4038/4885TAS1R1 3545/4885CHRM1 820/4885

“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.