SCHEMBL908872

SCHEMBL908872

Fc1ccc(C(OCCCl)OCCCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
SIGMAR1 Q99720 2/20 0.36
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL4283044 0.83 SLC6A2 (0.58) SLC6A3SLC6A2SLC6A4IDO1TDO2
SCHEMBL10549358 0.77 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4SIGMAR1
SCHEMBL10572880 0.77 SLC6A2 (0.57) SLC6A3SLC6A2SLC6A4SIGMAR1
SCHEMBL2551205 0.76 ALDH1A1 (0.46) SLC6A4IDO1AOC3
SCHEMBL908988 0.76 LMNA (0.37) SLC6A3SLC6A2SLC6A4IDO1TDO2
SCHEMBL909293 0.74 PPARG (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL6204102 0.74 PTGS2 (0.49) SLC6A3SLC6A2SLC6A4IDO1TDO2
SCHEMBL1533438 0.73 CES2 (0.32)
SCHEMBL17789906 0.72 SLC6A4 (0.42) SLC6A3SLC6A2SLC6A4IDO1TDO2
SCHEMBL8746929 0.72 SLC6A2 (0.54) SLC6A3SLC6A2SLC6A4IDO1TDO2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
CN-101815713-B Polycyclic compounds EISAI R&D MAN CO LTD 2013-09-11 CN disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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 (3 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 SLC6A3 2064/4885SLC6A2 1023/4885SLC6A4 2099/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 SLC6A3 1677/4885SLC6A2 1311/4885SLC6A4 2079/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 SLC6A3 3115/4885SLC6A2 1744/4885SLC6A4 3344/4885

“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.