SCHEMBL4420880

SCHEMBL4420880

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(Cc3cc(C(F)(F)F)ccc3F)CC21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
LDHB P07195 1/20 0.50
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
EPHX2 P34913 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL4414909 0.90 HIF1A (0.54) LDHALDHBHTTL3MBTL1ALDH1A1
SCHEMBL4420881 0.83 LDHA (0.42) LDHALDHBHTTL3MBTL1ALDH1A1
SCHEMBL2180733 0.82 NPC1 (0.50) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL4412368 0.82 MAPT (0.53) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL4417594 0.81 L3MBTL1 (0.48) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL4421466 0.81 MAPT (0.49) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL2170675 0.80 L3MBTL1 (0.52) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL4423905 0.80 HTT (0.60) LDHALDHBHTTL3MBTL1ALDH1A1
SCHEMBL4411172 0.80 ABL1 (0.50) LDHALDHBHTTL3MBTL1ALDH1A1
SCHEMBL4414453 0.80 EPHX2 (0.54) LDHALDHBHTTALDH1A1NPC1

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 LDHA 3479/4885LDHB 2872/4885HTT 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.