SCHEMBL1729296

SCHEMBL1729296

CCOc1cc2c(cc1C(=O)NC)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 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.44
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1730796 0.97 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1729318 0.92 F2R (0.45) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1730570 0.91 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL1729292 0.88 F2R (0.42) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1730830 0.88 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1729261 0.88 F2R (0.49) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1729351 0.88 F2R (0.47) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1732305 0.87 F2R (0.44) F2R
SCHEMBL1729310 0.87 F2R (0.60) F2RMAPTSMN1; SMN2ALDH1A1
SCHEMBL1730225 0.87 F2R (0.44) F2RKDM4EMAPTRAB9ANPC1

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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US claimed
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed
EP-1614680-B1 Process for preparing 2-iminopyrrolidine derivatives EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-2385039-A1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists Eisai R&D Management Co., Ltd. (JP) 2011-11-09 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 3161/4885MAPT 3483/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885KDM4E 3132/4885MAPT 3440/4885

“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.