SCHEMBL1731691

SCHEMBL1731691

CCOc1c(C)ncc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
AOC3 Q16853 2/20 0.35
AGXT P21549 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NQO1 P15559 1/20 0.32
GRM5 P41594 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
SCHEMBL19147198 0.82 CYP2C9 (0.38) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL1731688 0.79 AOC3 (0.33) AOC3MAPTNQO1
SCHEMBL13015490 0.77 AGXT (0.44) CCR1CCR5CCR8AGXTHSP90AA1
SCHEMBL1730839 0.76 KDM4E (0.46) AOC3KDM4EALDH1A1GAAMAPT
SCHEMBL13448343 0.75 AOC3 (0.31) AOC3AGXTGRM5
SCHEMBL10247270 0.74 PTPN1 (0.49) AOC3ALDH1A1GAAMAPTHPGD
SCHEMBL14050034 0.72 KMT2A (0.33) AGXTHSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL12936067 0.72 ALDH1A1 (0.39) AOC3KDM4EALDH1A1GLAGAA
SCHEMBL10328393 0.72 NQO1 (0.38) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL15004181 0.71 CCR1 (0.37) CCR1CCR5CCR8AOC3AGXT

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 CCR1 1379/4885CCR5 1935/4885CCR8 2760/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 CCR1 1363/4885CCR5 1920/4885CCR8 2753/4885

“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.