SCHEMBL4422665

SCHEMBL4422665

C=CCOc1ccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
JAK3 P52333 3/20 0.37
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
POLB P06746 1/20 0.35
ALDH2 P05091 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
USP30 Q70CQ3 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6506969 0.89 ALDH1A1 (0.50) GAAKDM4EALDH1A1CACNA1BAPBA1
SCHEMBL4413306 0.87 L3MBTL1 (0.49) GAAKDM4EALDH1A1CACNA1BAPBA1
SCHEMBL4424935 0.87 PDK1 (0.43) GAAKDM4EALDH1A1CACNA1BAPBA1
SCHEMBL4415239 0.87 SMN1; SMN2 (0.46) KDM4EALDH2L3MBTL1HTTRAB9A
SCHEMBL4418914 0.86 ALDH1A1 (0.45) GAAKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL4413699 0.86 GAA (0.48) GAAALDH1A1POLBALDH2L3MBTL1
SCHEMBL4412370 0.86 L3MBTL1 (0.44) GAAL3MBTL1USP30HTTNPC1
SCHEMBL4423662 0.85 CNR2 (0.42) GAAKDM4EALDH1A1L3MBTL1HTT
SCHEMBL4411176 0.85 ABL1 (0.44) GAAALDH1A1MAPT
SCHEMBL4552124 0.85 P2RX3 (0.43) GAAKDM4EALDH1A1POLBL3MBTL1

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
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
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 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 (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 GAA 1239/4885KDM4E 2032/4885ALDH1A1 3166/4885

“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.