SCHEMBL4421469

SCHEMBL4421469

Fc1cc(NCC2C3CN(Cc4cccc5ccccc45)CC23)ccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 4/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACHE P22303 1/20 0.40
CSNK1E P49674 1/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CG P48736 3/20 0.40
PIK3CA P42336 2/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2180736 0.87 CYP2A13 (0.46) MAPTKDM4EKMT2AGAAALOX15
SCHEMBL4422629 0.87 ALDH1A1 (0.41) MAPTKDM4EKMT2AGAAALOX15
SCHEMBL2178940 0.85 HRH3 (0.47) MAPTKDM4EGAAMAPK1L3MBTL1
SCHEMBL4419245 0.85 NPC1 (0.46) MAPTKDM4EKMT2AGAAALOX15
SCHEMBL4413545 0.84 NPC1 (0.43) MAPTKDM4EKMT2AGAAALOX15
SCHEMBL4421466 0.83 MAPT (0.49) MAPTKDM4EKMT2AMEN1L3MBTL1
SCHEMBL4417838 0.82 FAAH (0.42) MAPTKMT2AGAAALOX15MAPK1
SCHEMBL4421360 0.81 NPC1 (0.43) MAPTKDM4EKMT2AGAAALOX15
SCHEMBL4412370 0.81 L3MBTL1 (0.44) MAPTKMT2AGAAL3MBTL1NPC1
SCHEMBL4413699 0.81 GAA (0.48) MAPTKMT2AMEN1GAAL3MBTL1

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 PIK3C2B 3597/4885MAPT 1368/4885KDM4E 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.