SCHEMBL4418914

SCHEMBL4418914

Fc1cc(NCC2C3CN(Cc4ccc(OCc5ccccc5)cc4)CC23)ccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.42
S1PR5 Q9H228 2/20 0.42
PRKDC P78527 2/20 0.41
KDM4E B2RXH2 3/20 0.40
FAAH O00519 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
PRMT5 O14744 1/20 0.39
GRIN1 Q05586 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
SCHEMBL4419245 0.91 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL4423662 0.91 CNR2 (0.42) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL6506969 0.89 ALDH1A1 (0.50) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL4421360 0.88 NPC1 (0.43) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL4413306 0.87 L3MBTL1 (0.49) ALDH1A1NPC1MAPTGAAKDM4E
SCHEMBL4424935 0.87 PDK1 (0.43) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL4415239 0.87 SMN1; SMN2 (0.46) RAB9AMAPTMEN1KMT2AKDM4E
SCHEMBL4422665 0.86 GAA (0.39) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL4417596 0.86 GAA (0.42) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL4412370 0.86 L3MBTL1 (0.44) NPC1RAB9AMAPTGAAKMT2A

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 ALDH1A1 3166/4885NPC1 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.