SCHEMBL4420889

SCHEMBL4420889

CC(C)(C)c1ccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
HTT P42858 1/20 0.39
P2RX3 P56373 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
ALDH2 P05091 1/20 0.37
USP30 Q70CQ3 1/20 0.37
TEAD1 P28347 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 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
SCHEMBL4414914 0.92 HIF1A (0.47) CYP2C9L3MBTL1LDHALDHBHTT
SCHEMBL4412123 0.90 L3MBTL1 (0.41) MAOBMAOAL3MBTL1HTTGAA
SCHEMBL2170676 0.90 LMNA (0.44) MAOBMAOACYP2C9L3MBTL1HTT
SCHEMBL4413699 0.89 GAA (0.48) L3MBTL1HTTGAAMAPTLMNA
SCHEMBL4412370 0.89 L3MBTL1 (0.44) MAOBMAOAL3MBTL1HTTGAA
SCHEMBL4552124 0.89 P2RX3 (0.43) L3MBTL1HTTP2RX3GAAMAPT
SCHEMBL4415737 0.88 P2RX3 (0.39) MAOBMAOACYP2C9L3MBTL1LDHA
SCHEMBL4419284 0.88 NPC1 (0.43) L3MBTL1HTTGAAMAPTLMNA
SCHEMBL4417596 0.88 GAA (0.42) MAOBMAOACYP2C9L3MBTL1HTT
SCHEMBL4419245 0.88 NPC1 (0.46) L3MBTL1HTTGAAMAPTLMNA

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 MAOB 307/4885MAOA 726/4885CYP2C9 677/4885

“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.