SCHEMBL1731680

SCHEMBL1731680

CCc1ccc2c(n1)C(=N)N(CC(=O)c1ccc(OCC(=O)OC(=O)C(F)(F)F)c(C(C)(C)C)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.35
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 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
Trifluoroacetic Acid SCHEMBL1731674 0.89 PTGDR2 (0.38) F2RTHRATHRBKDM4ENPC1
SCHEMBL1732042 0.88 PTGDR2 (0.41) F2RTHRATHRBKDM4ENPC1
Bromide SCHEMBL5481823 0.87 PTGDR2 (0.40) F2RTHRATHRBKDM4ENPC1
SCHEMBL1729531 0.84 F2R (0.38) F2RTHRATHRBKDM4ENPC1
Bromide SCHEMBL5490645 0.83 F2R (0.39) F2RTHRATHRBKDM4ENPC1
SCHEMBL1729449 0.83 F2R (0.34) F2R
Bromide SCHEMBL1729755 0.83 THRA (0.39) F2RTHRATHRBKDM4ENPC1
SCHEMBL5488774 0.82 F2R (0.36) F2RTHRATHRB
Bromide SCHEMBL5484977 0.81 F2R (0.34) F2RTHRATHRBKDM4ENPC1
SCHEMBL6545085 0.80 KDM4E (0.35) F2RKDM4ENPC1MAPTRAB9A

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 4 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-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 F2R 2290/4885THRA 2030/4885THRB 2315/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885THRA 2034/4885THRB 2297/4885

“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.