SCHEMBL4415239

SCHEMBL4415239

COc1ccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
RAB9A P51151 1/20 0.45
ALDH2 P05091 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD4 P21917 2/20 0.41
KDM1A O60341 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6506969 0.91 ALDH1A1 (0.50) SMN1; SMN2ALDH2MAPTKDM4ELMNA
SCHEMBL4425285 0.90 KDM4E (0.43) SMN1; SMN2RAB9AALDH2MAPTHPGD
SCHEMBL4415737 0.90 P2RX3 (0.39) HIF1AEPAS1ALDH2MAPK1HTT
SCHEMBL4412123 0.90 L3MBTL1 (0.41) SMN1; SMN2RAB9AALDH2MAPTMAPK1
SCHEMBL2170676 0.90 LMNA (0.44) SMN1; SMN2RAB9AALDH2MAPTHPGD
SCHEMBL4412370 0.89 L3MBTL1 (0.44) SMN1; SMN2RAB9AMAPTHTTKMT2A
SCHEMBL4413699 0.89 GAA (0.48) SMN1; SMN2RAB9AALDH2MAPTHTT
SCHEMBL4413306 0.89 L3MBTL1 (0.49) ALDH2MAPTKDM4EL3MBTL1
SCHEMBL4423662 0.89 CNR2 (0.42) SMN1; SMN2RAB9AMAPTHPGDMAPK1
SCHEMBL4411176 0.89 ABL1 (0.44) MAPTMAPK1ACHEBACE1DRD4

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 SMN1; SMN2 4003/4885HIF1A 3385/4885EPAS1 2763/4885

“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.