SCHEMBL1731045

SCHEMBL1731045

CCOc1c(C(=O)O)nc2c(c1C)CN(CC(=O)c1cc(C(C)(C)C)c(OC(=O)C(F)(F)F)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.40
PDE5A O76074 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 SCHEMBL1731391 0.89 F2R (0.39) F2RPDE5A
Bromide SCHEMBL1730812 0.88 F2R (0.40) F2R
SCHEMBL1731397 0.85 F2R (0.38) F2R
SCHEMBL14449071 0.80 F2R (0.41) F2R
Hydrochloric Acid SCHEMBL1730808 0.79 F2R (0.41) F2R
Bromide SCHEMBL1729039 0.79 F2R (0.41) F2R
Bromide SCHEMBL1730960 0.77 F2R (0.40) F2R
SCHEMBL5488774 0.76 F2R (0.36) F2R
Bromide SCHEMBL1731371 0.76 F2R (0.43) F2R
Hydrochloric Acid SCHEMBL1731571 0.76 F2R (0.40) F2R

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 5 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
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 F2R 2290/4885PDE5A 3106/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885PDE5A 3105/4885

“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.