SCHEMBL4180217

SCHEMBL4180217

[CH2]N1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.42
EPHX1 P07099 1/20 0.40
NR2F2 P24468 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DRD2 P14416 2/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13861254 0.88 SIGMAR1 (0.56) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL19199734 0.86 SIGMAR1 (0.55) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL13799649 0.84 SIGMAR1 (0.65) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL28329410 0.84 SIGMAR1 (0.51) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL4434497 0.84 SIGMAR1 (0.53) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL10046336 0.84 SIGMAR1 (0.53) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL2429327 0.84 SIGMAR1 (0.56) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL1328433 0.84 CTSD (0.54) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL30859928 0.83 SIGMAR1 (0.53) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL23775760 0.79 SIGMAR1 (0.63) SIGMAR1ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 SIGMAR1 2159/4885ALDH1A1 163/4885MEN1 218/4885

“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.