SCHEMBL1730855

SCHEMBL1730855

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.38
PTPN1 P18031 2/20 0.35
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL1730422 0.89 GSK3B (0.40) GSK3BSCN1ASCN2ASCN3AKDM4E
SCHEMBL1730596 0.87 GSK3B (0.38) GSK3BSCN1ASCN2ASCN3AKDM4E
SCHEMBL2772923 0.75 TNFRSF1A (0.48) GSK3BPTPN1KDM4EMEN1ALDH1A1
SCHEMBL1730437 0.74 PTGS2 (0.30)
SCHEMBL2085534 0.72 NOTUM (0.46) GSK3BPTPN1MEN1ALDH1A1KMT2A
SCHEMBL1730810 0.72 TNFRSF1A (0.42) MEN1ALDH1A1KMT2APOLB
SCHEMBL2382429 0.69 GSK3B (0.50) GSK3BPTPN1KDM4EMEN1ALDH1A1
SCHEMBL21373264 0.67 GSK3B (0.52) GSK3BPTPN1ALDH1A1
SCHEMBL503143 0.67 MEN1 (0.58) GSK3BSCN1ASCN2ASCN3AKDM4E
SCHEMBL12187801 0.67 F2R (0.46) GSK3BMEN1KMT2A

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 4638/4885PTPN1 3912/4885SCN1A 551/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 GSK3B 4629/4885PTPN1 3865/4885SCN1A 547/4885

“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.