SCHEMBL3511520

SCHEMBL3511520

CC(C)(C)CN(Cc1cccc(Br)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
PTGER2 P43116 8/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
GRM5 P41594 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MME P08473 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
SCHEMBL946473 0.85 GRIN2D (0.38) PTGER2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL67697 0.81 MEN1 (0.42) FAAHPTGER2ALDH1A1HPGDGRM5
SCHEMBL107426 0.79 HDAC1 (0.41) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3669973 0.78 HPGD (0.40) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13269952 0.76 PTGES (0.43) FAAHHPGDMEN1KMT2A
SCHEMBL67698 0.74 POLB (0.41) ALDH1A1HPGDGRM5MEN1LMNA
SCHEMBL17843158 0.73 HCRTR1 (0.43)
SCHEMBL2177178 0.73 PTGES (0.58) ALDH1A1MEN1LMNAKMT2ARECQL
SCHEMBL8154608 0.73 MEN1 (0.42) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL2602364 0.73 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 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 (1 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 FAAH 4535/4885PTGER2 2242/4885GRIN2D 3256/4885

“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.