SCHEMBL4417838

SCHEMBL4417838

Fc1cc(NCC2C3CN(Cc4ccc5ccccc5n4)CC23)ccc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
PDE10A Q9Y233 4/20 0.40
DRD4 P21917 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.38
DGAT1 O75907 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PDE2A O00408 1/20 0.36
MTOR P42345 2/20 0.36

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
SCHEMBL4413545 0.85 NPC1 (0.43) FAAHPDE10ADRD4MAPTNPC1
SCHEMBL4417982 0.85 HTT (0.41) MAPTNPC1RAB9AL3MBTL1HTT
SCHEMBL4417835 0.84 FAAH (0.49) FAAHPDE10AMAPTNPC1RAB9A
SCHEMBL4430241 0.84 FAAH (0.45) FAAHMAPTNPC1RAB9AL3MBTL1
SCHEMBL4419245 0.83 NPC1 (0.46) MAPTNPC1RAB9AL3MBTL1HTT
SCHEMBL4421469 0.82 PIK3C2B (0.45) DRD4MAPTNPC1RAB9AL3MBTL1
SCHEMBL4422629 0.82 ALDH1A1 (0.41) FAAHMAPTNPC1RAB9AL3MBTL1
SCHEMBL4423654 0.81 NPC1 (0.39) MAPTNPC1RAB9AL3MBTL1HTT
SCHEMBL8287900 0.81 PDE10A (0.39) FAAHPDE10AMAPTNPC1RAB9A
SCHEMBL2180736 0.80 CYP2A13 (0.46) DRD4MAPTNPC1RAB9AL3MBTL1

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 FAAH 2866/4885PDE10A 1758/4885DRD4 80/4885

“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.