SCHEMBL4417596

SCHEMBL4417596

Oc1ccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 1/20 0.41
USP30 Q70CQ3 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH2 P05091 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOB P27338 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 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
SCHEMBL4413699 0.92 GAA (0.48) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4412370 0.92 L3MBTL1 (0.44) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4552124 0.91 P2RX3 (0.43) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4412123 0.90 L3MBTL1 (0.41) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL2170676 0.90 LMNA (0.44) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4419284 0.90 NPC1 (0.43) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4419245 0.90 NPC1 (0.46) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4415911 0.89 LMNA (0.40) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4414369 0.89 L3MBTL1 (0.47) GAAL3MBTL1HTTNPC1RAB9A
SCHEMBL4414914 0.89 HIF1A (0.47) GAAL3MBTL1HTTNPC1RAB9A

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 GAA 1239/4885L3MBTL1 1416/4885HTT 1090/4885

“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.