SCHEMBL1730641

SCHEMBL1730641

CCOc1cc(C(=O)CBr)cc(C(C)(C)C)c1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
LMNA P02545 1/20 0.47
F2R P25116 9/20 0.45
TSHR P16473 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9907147 0.92 TSHR (0.49) NCOA1NCOA3LMNAF2RTSHR
SCHEMBL9907158 0.87 F2R (0.48) NCOA1NCOA3LMNAF2RMEN1
SCHEMBL1205566 0.87 F2R (0.42) NCOA1NCOA3LMNAF2RMEN1
SCHEMBL1189594 0.86 F2R (0.52) NCOA1NCOA3F2R
SCHEMBL1205297 0.86 F2R (0.43) NCOA1NCOA3LMNAF2RMEN1
SCHEMBL2772923 0.85 TNFRSF1A (0.48) LMNATSHRMEN1KMT2AKDM4E
SCHEMBL1205281 0.85 F2R (0.39) NCOA1NCOA3LMNAF2RMEN1
SCHEMBL1728964 0.83 LMNA (0.43) NCOA1NCOA3LMNAF2RTSHR
SCHEMBL1730615 0.83 MEN1 (0.38) NCOA1NCOA3LMNAF2RTSHR
SCHEMBL1206118 0.83 F2R (0.43) F2RMEN1KMT2AKDM4EALDH1A1

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 NCOA1 2530/4885NCOA3 2149/4885LMNA 3366/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 NCOA1 2556/4885NCOA3 2200/4885LMNA 3368/4885

“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.