SCHEMBL4414914

SCHEMBL4414914

Fc1cc(NCC2C3CN(Cc4ccc(C(F)(F)F)cc4)CC23)ccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.47
EPAS1 Q99814 3/20 0.47
LDHA P00338 2/20 0.45
LDHB P07195 2/20 0.45
CYP2C9 P11712 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SRPK1 Q96SB4 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL4420889 0.92 MAOB (0.45) HIF1AEPAS1LDHALDHBCYP2C9
SCHEMBL4412370 0.90 L3MBTL1 (0.44) HTTLMNANPC1RAB9AKMT2A
SCHEMBL4413699 0.90 GAA (0.48) HTTALDH1A1LMNANPSR1NPC1
SCHEMBL4552124 0.89 P2RX3 (0.43) HTTKDM4EALDH1A1LMNATSHR
SCHEMBL4420881 0.89 LDHA (0.42) LDHALDHBHTTKDM4EALDH1A1
SCHEMBL2170676 0.89 LMNA (0.44) CYP2C9HTTALDH1A1LMNANPC1
SCHEMBL4419284 0.89 NPC1 (0.43) HTTALDH1A1LMNATSHRNPC1
SCHEMBL4412123 0.89 L3MBTL1 (0.41) HTTALDH1A1LMNANPC1RAB9A
SCHEMBL4423907 0.89 HTT (0.50) HTTKDM4EALDH1A1LMNATSHR
SCHEMBL4417596 0.89 GAA (0.42) CYP2C9HTTKDM4EALDH1A1LMNA

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 HIF1A 3385/4885EPAS1 2763/4885LDHA 3479/4885

“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.