SCHEMBL1730615

SCHEMBL1730615

CCNC(=O)Oc1c(OCC)cc(C(=O)CBr)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
F2R P25116 4/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GLA P06280 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.85 TSHR (0.49) MEN1KMT2ATSHRLMNAF2R
SCHEMBL1730641 0.83 NCOA1 (0.49) MEN1KMT2ATSHRLMNAF2R
SCHEMBL1728964 0.77 LMNA (0.43) MEN1KMT2ATSHRLMNAF2R
SCHEMBL12151759 0.75 F2R (0.53) F2RGAASMN1; SMN2
SCHEMBL14449098 0.74 F2R (0.65) MEN1KMT2ATSHRF2RGAA
SCHEMBL6544967 0.73 THRA (0.35) TSHRLMNAF2RNCOA1NCOA3
SCHEMBL12151355 0.72 F2R (0.52) F2R
SCHEMBL11042403 0.71 GSK3B (0.41) MEN1KMT2AGAA
SCHEMBL1205566 0.71 F2R (0.42) MEN1KMT2ALMNAF2RNCOA1
SCHEMBL9907158 0.71 F2R (0.48) MEN1KMT2ALMNAF2RNCOA1

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 6 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
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

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 MEN1 891/4885KMT2A 2082/4885TSHR 909/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MEN1 859/4885KMT2A 2110/4885TSHR 911/4885

“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.