SCHEMBL4414909

SCHEMBL4414909

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(Cc3ccc(C(F)(F)F)cc3)CC21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.54
EPAS1 Q99814 2/20 0.54
LDHA P00338 2/20 0.53
LDHB P07195 2/20 0.53
CYP2C9 P11712 1/20 0.52
HTT P42858 1/20 0.51
EPHX2 P34913 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
DNMT1 P26358 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4412368 0.91 MAPT (0.53) CYP2C9HTTNPC1RAB9AKMT2A
SCHEMBL4417594 0.90 L3MBTL1 (0.48) CYP2C9HTTNPC1RAB9AKMT2A
SCHEMBL4420880 0.90 LDHA (0.50) LDHALDHBHTTEPHX2NPC1
SCHEMBL2170675 0.89 L3MBTL1 (0.52) CYP2C9HTTNPC1RAB9AKMT2A
SCHEMBL4423905 0.89 HTT (0.60) LDHALDHBCYP2C9HTTNPC1
SCHEMBL4411172 0.89 ABL1 (0.50) LDHALDHBCYP2C9HTTEPHX2
SCHEMBL4425268 0.87 L3MBTL1 (0.48) LDHALDHBCYP2C9HTTNPC1
SCHEMBL4415238 0.87 HIF1A (0.52) HIF1AEPAS1CYP2C9HTTNPC1
SCHEMBL4418852 0.87 ALDH1A1 (0.49) LDHALDHBCYP2C9HTTNPC1
SCHEMBL4423761 0.87 MTOR (0.49) CYP2C9HTTNPC1RAB9AKMT2A

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.