SCHEMBL2179983

SCHEMBL2179983

CCOc1cccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
FAAH O00519 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2B P41595 1/20 0.40
ROCK2 O75116 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
MTOR P42345 1/20 0.38
HTT P42858 2/20 0.38
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 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
SCHEMBL4415858 0.93 FAAH (0.42) KDM4EALDH1A1GAAFAAHHTR1A
SCHEMBL4425285 0.91 KDM4E (0.43) KDM4EALDH1A1GAAFAAHHTT
SCHEMBL6506969 0.91 ALDH1A1 (0.50) KDM4EALDH1A1GAAHRH3MTOR
SCHEMBL4414138 0.89 KDM4E (0.52) KDM4EALDH1A1GAAFAAHHTT
SCHEMBL4412004 0.88 KCNH2 (0.46) KDM4EALDH1A1GAADRD2HTT
SCHEMBL4424484 0.87 LMNA (0.41) KDM4EALDH1A1GAAHTTHPGD
SCHEMBL4419245 0.86 NPC1 (0.46) KDM4EALDH1A1GAAHTTHPGD
SCHEMBL2179980 0.85 USP30 (0.46) ALDH1A1FAAHCACNA1BAPBA1SAE1
SCHEMBL4412123 0.84 L3MBTL1 (0.41) ALDH1A1GAAMTORHTTMAPK1
SCHEMBL4413306 0.84 L3MBTL1 (0.49) KDM4EALDH1A1GAAFAAHHTR1A

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 8 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
JP-4732354-B2 2011-07-27 JP 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

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 KDM4E 2032/4885ALDH1A1 3166/4885GAA 1239/4885

“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.