SCHEMBL1730422

SCHEMBL1730422

COc1c(N(C)C)cc(C(=O)CBr)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
TNFRSF1A P19438 2/20 0.39
CYP3A4 P08684 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
F2R P25116 7/20 0.33
PTGS2 P35354 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL1730855 0.89 GSK3B (0.38) GSK3BTHRATHRBSCN1ASCN2A
SCHEMBL1730596 0.89 GSK3B (0.38) GSK3BSCN1ASCN2ASCN3AKDM4E
SCHEMBL2772923 0.87 TNFRSF1A (0.48) GSK3BTNFRSF1ACYP3A4LMNARECQL
SCHEMBL1730810 0.82 TNFRSF1A (0.42) TNFRSF1ACYP3A4LMNARECQLPTGS2
SCHEMBL1730641 0.77 NCOA1 (0.49) LMNAF2RKDM4EMEN1ALDH1A1
SCHEMBL12187801 0.76 F2R (0.46) GSK3BF2RMEN1KMT2A
SCHEMBL12187575 0.76 GSK3B (0.38) GSK3BTNFRSF1ACYP3A4KDM4EMEN1
SCHEMBL12187442 0.76 F2R (0.45) F2RKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1205566 0.75 F2R (0.42) GSK3BTNFRSF1ATHRATHRBLMNA
SCHEMBL1730605 0.75 GSK3B (0.37) GSK3BTNFRSF1ACYP3A4PTGS2ALOX5

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 GSK3B 4638/4885TNFRSF1A 3808/4885CYP3A4 506/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 GSK3B 4629/4885TNFRSF1A 3790/4885CYP3A4 501/4885

“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.