SCHEMBL4552447

SCHEMBL4552447

COc1cc(C)ccc1S(=O)(=O)N1CC2C(CNc3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.42
ALDH2 P05091 1/20 0.41
MAOB P27338 3/20 0.41
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.39
MTOR P42345 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4417872 0.85 ALDH1A1 (0.45) MAOBGAAMAPK1MAPTMTOR
SCHEMBL4552446 0.85 EPHX2 (0.47) MCOLN3MAPTMTORALDH1A1SMN1; SMN2
SCHEMBL4413584 0.83 ALDH1A1 (0.48) GAAMTORALDH1A1SMN1; SMN2LMNA
SCHEMBL4430192 0.81 MCOLN3 (0.44) MCOLN3GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL4426207 0.81 MAOB (0.40) MAOBGAAALOX15MAPK1ALDH1A1
SCHEMBL2224122 0.80 SLC6A9 (0.45) MAOBGAALMNAPOLBHTT
SCHEMBL4419968 0.80 L3MBTL1 (0.46) MAOBGAAMAPK1MTORALDH1A1
SCHEMBL4419259 0.80 MAOB (0.53) MAOBMAPK1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL4423693 0.79 MAPK1 (0.44) MAOBMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4425190 0.78 MEN1 (0.46) MAPK1MAPTMTORALDH1A1SMN1; SMN2

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 7 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

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 MCOLN3 2228/4885ALDH2 4201/4885MAOB 307/4885

“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.