SCHEMBL1729479

SCHEMBL1729479

Cc1ccc2c(n1)C(=N)N(CC(=O)c1cc3c(c(C(C)(C)C)c1)OCCO3)C2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.36
PTGS2 P35354 7/20 0.35
PTGS1 P23219 6/20 0.35
ALOX5 P09917 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32

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
Bromide SCHEMBL1731548 0.86 F2R (0.40) F2RPTGS2PTGS1ALOX5KDM4E
SCHEMBL14449067 0.85 F2R (0.45) F2RPTGS2PTGS1ALOX5KDM4E
Bromide SCHEMBL1731819 0.84 PTGS2 (0.51) PTGS2PTGS1ALOX5
Bromide SCHEMBL1728963 0.84 F2R (0.40) F2RPTGS2PTGS1KDM4EMAPT
Hydrochloric Acid SCHEMBL1729247 0.84 F2R (0.44) F2RPTGS2PTGS1ALOX5KDM4E
Bromide SCHEMBL1731074 0.81 F2R (0.36) F2R
Bromide SCHEMBL5490690 0.79 SLC22A12 (0.42) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1730847 0.79 F2R (0.41) F2RKDM4EMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL5486707 0.79 F2R (0.37) F2RKDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1732301 0.78 PTGS2 (0.45) F2RPTGS2PTGS1ALOX5KDM4E

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 2290/4885PTGS2 1313/4885PTGS1 1630/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885PTGS2 1298/4885PTGS1 1607/4885

“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.