SCHEMBL2249295

SCHEMBL2249295

COc1ccc2cc(N3CCN(C(=O)[C@@H](CC(C)C)[C@@H]4OC(C)(C)OC4=O)[C@H](C)C3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
ROCK2 O75116 6/20 0.40
PRKG1 Q13976 6/20 0.40
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.35
LIMK2 P53671 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM4 P08173 1/20 0.34
IDH1 O75874 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.33

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 0.93 FAAH (0.43) FAAHROCK2PRKG1KDM4EALDH1A1
SCHEMBL2245371 0.92 ROCK2 (0.46) FAAHROCK2PRKG1KMT2ACYP1A2
SCHEMBL2244397 0.90 FAAH (0.42) FAAHROCK2PRKG1KDM4EALDH1A1
SCHEMBL2246954 0.89 CTSK (0.43) FAAHROCK2PRKG1POLBKMT2A
SCHEMBL2245633 0.86 ROCK2 (0.46) ROCK2PRKG1ALDH1A1KMT2ACYP1A2
SCHEMBL2247261 0.86 CHRM4 (0.47) FAAHROCK2PRKG1KMT2ACHRM2
SCHEMBL2244659 0.86 ACACB (0.40) ALDH1A1KMT2A
SCHEMBL2245486 0.85 TAS1R3 (0.37) ROCK2PRKG1TAS1R3TAS1R1CHRM2
SCHEMBL2247667 0.85 CTSK (0.38) KMT2ACHRM2CHRM1CHRM4
SCHEMBL2247211 0.85 CTSK (0.38) KMT2ACHRM2CHRM1CHRM4

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 FAAH 88/4885ROCK2 2741/4885PRKG1 3780/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD FAAH 73/4885ROCK2 2748/4885PRKG1 3915/4885

“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.