SCHEMBL4423654

SCHEMBL4423654

Fc1cc(NCC2C3CN(Cc4ccc(Cc5ccccc5)cn4)CC23)ccc1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
MTOR P42345 2/20 0.37
JAK3 P52333 2/20 0.36
DGAT1 O75907 1/20 0.36
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK10 P53779 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4419245 0.86 NPC1 (0.46) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL4417982 0.85 HTT (0.41) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL4423653 0.85 USP30 (0.45) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL4421360 0.83 NPC1 (0.43) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL4418914 0.82 ALDH1A1 (0.45) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL4430241 0.82 FAAH (0.45) NPC1RAB9AL3MBTL1MAPTMTOR
SCHEMBL4417838 0.81 FAAH (0.42) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL4417584 0.81 KDM4E (0.47) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL4427710 0.81 NPC1 (0.45) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL4412370 0.81 L3MBTL1 (0.44) NPC1RAB9AL3MBTL1MAPTGAA

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 NPC1 301/4885RAB9A 816/4885L3MBTL1 1416/4885

“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.