SCHEMBL2249177

SCHEMBL2249177

CC(C)C[C@H](C(=O)N1CCN(c2ccc3c(c2)OC(F)(F)O3)C[C@H]1C)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
ACACB O00763 2/20 0.43
TIPARP Q7Z3E1 1/20 0.40
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 5/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
KCNK3 O14649 1/20 0.34
OGA O60502 2/20 0.33
ROCK2 O75116 1/20 0.33
PRKG1 Q13976 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM4 P08173 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
SCHEMBL2246930 0.89 CTSB (0.45) CHRM2CHRM1ACACBSMN1; SMN2CTSK
SCHEMBL2247211 0.86 CTSK (0.38) CHRM2CHRM1SMN1; SMN2CTSKCHRM4
SCHEMBL2247667 0.86 CTSK (0.38) CHRM2CHRM1CTSKCHRM4
SCHEMBL2250505 0.85 ACACB (0.42) CHRM2CHRM1ACACBCTSKCTSB
SCHEMBL2245486 0.85 TAS1R3 (0.37) CHRM2CHRM1CTSKCTSBCTSS
SCHEMBL2246954 0.85 CTSK (0.43) CHRM2CHRM1CTSKCTSBCTSS
SCHEMBL2247690 0.85 CHRM2 (0.44) CHRM2CHRM1CTSKCHRM4
SCHEMBL2247661 0.85 CHRM4 (0.40) CHRM2CHRM1CTSKCHRM4
SCHEMBL2242144 0.85 MGLL (0.39) CHRM2CHRM1ACACBRECQLMAPT
SCHEMBL2247261 0.85 CHRM4 (0.47) CHRM2CHRM1ACACBCTSKCTSB

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 CHRM2 531/4885CHRM1 767/4885ACACB 706/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD CHRM2 599/4885CHRM1 820/4885ACACB 687/4885

“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.