SCHEMBL1730697

SCHEMBL1730697

CC(=O)c1cc2c(c(C(C)(C)C)c1)OCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ADRB2 P07550 9/20 0.39
ADRB1 P08588 6/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PKM P14618 1/20 0.38
NR3C2 P08235 1/20 0.38
ALOX5 P09917 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
GAA P10253 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL1730597 0.84 PTGS2 (0.42) ALDH1A1MAPTADRB2ADRB1RXFP1
SCHEMBL4291175 0.81 ALDH1A1 (0.45) ALDH1A1MAPTRXFP1PKMNR3C2
SCHEMBL12115574 0.81 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL4291222 0.81 NR3C2 (0.50) ALDH1A1MAPTRXFP1PKMNR3C2
SCHEMBL4289205 0.80 NR3C2 (0.45) ALDH1A1MAPTRXFP1PKMNR3C2
SCHEMBL4290971 0.80 ALDH1A1 (0.41) ALDH1A1MAPTRXFP1PKMNR3C2
SCHEMBL22312064 0.80 PDE3B (0.51) MAPTADRB2ADRB1PKMPDE3B
SCHEMBL15709709 0.78 ADRB2 (0.43) ADRB2ADRB1PDE3BPDE3A
SCHEMBL4297177 0.78 MAPT (0.46) ALDH1A1MAPTADRB2ADRB1RXFP1
SCHEMBL1730419 0.76 PTGS2 (0.38) ALDH1A1MAPTALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ALDH1A1 443/4885MAPT 3483/4885ADRB2 28/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ALDH1A1 437/4885MAPT 3440/4885ADRB2 28/4885

“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.