SCHEMBL4414073

SCHEMBL4414073

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RORC P51449 1/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL2182097 0.91 LDHA (0.51) HTTKDM4ELDHALDHBALDH1A1
SCHEMBL4415696 0.89 MAPT (0.55) HTTKDM4EALDH1A1HPGDMAPT
SCHEMBL4551999 0.86 MAPT (0.47) HTTKDM4EALDH1A1HPGDMAPT
SCHEMBL4414076 0.85 ALDH1A1 (0.41) IDH2HTTKDM4EHSD17B10LDHA
SCHEMBL4414453 0.82 EPHX2 (0.54) IDH2HTTKDM4EHSD17B10LDHA
SCHEMBL4414909 0.79 HIF1A (0.54) HTTLDHALDHBALDH1A1MAPT
SCHEMBL4420880 0.78 LDHA (0.50) HTTKDM4ELDHALDHBALDH1A1
SCHEMBL4427708 0.77 NPC1 (0.54) HTTKDM4EALDH1A1HPGDMAPT
SCHEMBL2182100 0.76 LDHA (0.44) HTTKDM4ELDHALDHBALDH1A1
SCHEMBL2181886 0.76 NPC1 (0.52) HTTKDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 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 (1 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 IDH2 2750/4885HTT 1090/4885KDM4E 2032/4885

“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.