SCHEMBL4413545

SCHEMBL4413545

Fc1cc(NCC2C3CN(Cc4ccc5ccccc5c4)CC23)ccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 3/20 0.43
MCHR1 Q99705 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
CSNK1E P49674 1/20 0.40
PDE10A Q9Y233 1/20 0.39
DRD4 P21917 1/20 0.39
GAA P10253 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CCR3 P51677 1/20 0.37
ALOX15 P16050 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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 0.89 NPC1 (0.46) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4421360 0.88 NPC1 (0.43) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4412370 0.88 L3MBTL1 (0.44) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4413699 0.88 GAA (0.48) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4423662 0.87 CNR2 (0.42) NPC1RAB9AL3MBTL1MAPTFAAH
SCHEMBL4430241 0.87 FAAH (0.45) NPC1RAB9AL3MBTL1MAPTFAAH
SCHEMBL4415911 0.87 LMNA (0.40) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4552124 0.87 P2RX3 (0.43) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4414138 0.86 KDM4E (0.52) NPC1RAB9AKMT2AL3MBTL1MAPT
SCHEMBL4419284 0.86 NPC1 (0.43) NPC1RAB9AKMT2AL3MBTL1MAPT

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 816/4885KMT2A 1892/4885

“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.