SCHEMBL1729355

SCHEMBL1729355

CCOc1cc2c(cc1C(=O)NCC(=O)OC(=O)C(F)(F)F)C(=N)N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.42
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 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
Trifluoroacetic Acid SCHEMBL1729347 0.90 F2R (0.45) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1729265 0.89 F2R (0.44) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1730594 0.89 F2R (0.46) F2RKDM4ENPC1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL1730794 0.86 F2R (0.45) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1730573 0.86 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1729351 0.86 F2R (0.47) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449014 0.85 F2R (0.45) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731268 0.85 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730405 0.85 F2R (0.45) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1730854 0.84 F2R (0.43) 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 2290/4885KDM4E 3161/4885NPC1 4243/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885KDM4E 3132/4885NPC1 4254/4885

“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.