SCHEMBL4414455

SCHEMBL4414455

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC2C(CNc3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
IDH2 P48735 1/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD4 O60885 2/20 0.40
BRD2 P25440 2/20 0.40

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
SCHEMBL4419259 0.92 MAOB (0.53) EPHX2LDHALDHBMAOAMAOB
SCHEMBL4419968 0.91 L3MBTL1 (0.46) MAOBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4422647 0.90 MAOB (0.45) EPHX2LDHALDHBMAOAMAOB
SCHEMBL4425190 0.89 MEN1 (0.46) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4417872 0.89 ALDH1A1 (0.45) MAOBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4414933 0.89 KMT2A (0.43) MAOAMAOBLMNAMEN1KMT2A
SCHEMBL4421518 0.89 MAPT (0.42) EPHX2MAOAMAOBMEN1KMT2A
SCHEMBL4415523 0.88 L3MBTL1 (0.44) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2182100 0.88 LDHA (0.44) LDHALDHBMAOAMAOBLMNA
SCHEMBL4418890 0.88 MEN1 (0.47) MAOBLMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
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 EPHX2 3183/4885LDHA 3479/4885LDHB 2872/4885

“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.