SCHEMBL4552124

SCHEMBL4552124

Fc1cc(NCC2C3CN(Cc4ccc(Cl)cc4)CC23)ccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 4/20 0.39
USP30 Q70CQ3 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4413699 0.93 GAA (0.48) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL4412370 0.93 L3MBTL1 (0.44) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL4415911 0.92 LMNA (0.40) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL4412123 0.91 L3MBTL1 (0.41) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL2170676 0.91 LMNA (0.44) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL4417596 0.91 GAA (0.42) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL4419284 0.91 NPC1 (0.43) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL4419245 0.91 NPC1 (0.46) NPC1RAB9AGAAL3MBTL1HTT
SCHEMBL4418856 0.91 ALDH1A1 (0.45) P2RX3NPC1GAAL3MBTL1USP30
SCHEMBL4414914 0.89 HIF1A (0.47) NPC1RAB9AGAAL3MBTL1HTT

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 P2RX3 649/4885NPC1 301/4885RAB9A 816/4885

“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.