SCHEMBL2250358

SCHEMBL2250358

COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)[C@H](O)C(=O)O)[C@H](C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
HTR1A P08908 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ACACB O00763 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2245046 0.97 FAAH (0.46) FAAHKDM4EALDH1A1KMT2AHTR1A
SCHEMBL2246677 0.91 FAAH (0.45) FAAHKDM4EALDH1A1KMT2AHTR1A
SCHEMBL2250688 0.90 MAPT (0.41) FAAHALDH1A1KMT2AMAPK1MAPT
SCHEMBL2246852 0.89 FAAH (0.44) FAAHKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL2245396 0.89 FAAH (0.51) FAAHALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL3879190 0.89 FAAH (0.37) FAAHALDH1A1MAPTSMN1; SMN2
SCHEMBL2244302 0.89 SMN1; SMN2 (0.41) FAAHHTR1ASMN1; SMN2
SCHEMBL2249201 0.89 FAAH (0.37) FAAHALDH1A1MAPTSMN1; SMN2
SCHEMBL2252354 0.88 ACACB (0.42) FAAHKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2247465 0.88 CHRM2 (0.49) FAAH

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 FAAH 88/4885KDM4E 2539/4885ALDH1A1 354/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD FAAH 73/4885KDM4E 2486/4885ALDH1A1 313/4885

“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.