SCHEMBL22772006

SCHEMBL22772006

CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](Oc2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
GHSR Q92847 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
PIK3CD O00329 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL22735308 1.00 MAPT (0.45) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22735306 1.00 MAPT (0.45) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22735303 1.00 MAPT (0.45) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22772004 1.00 MAPT (0.45) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22735292 0.89 MAPT (0.45) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22735288 0.89 MAPT (0.45) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22735290 0.89 MAPT (0.45) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22772072 0.88 MAPT (0.44) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22772071 0.88 MAPT (0.44) MAPTALDH1A1LMNAGHSRSLC6A2
SCHEMBL22772068 0.88 MAPT (0.44) MAPTALDH1A1LMNAGHSRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3594202-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-11 EP disclosed
US-11034700-B2 Substituted pyrrolidine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-15 US disclosed
US-20200392149-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-17 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-11034700-B2 Substituted pyrrolidine compound and use thereof HCRTR2, HCRTR1, CRHR2 MAPT 1345/4885ALDH1A1 2288/4885LMNA 3379/4885
US-20200392149-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CRHR2 MAPT 1345/4885ALDH1A1 2288/4885LMNA 3379/4885

“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.