SCHEMBL4415660

SCHEMBL4415660

O=S(=O)(c1ccc(Oc2ccccn2)cc1)N1CC2C(CNc3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 3/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL4425059 0.90 KMT2A (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4415378 0.88 HTT (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL6509183 0.86 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4412329 0.86 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4415659 0.86 HTT (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4413584 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL4418890 0.84 MEN1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4419968 0.84 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4421480 0.83 MMP1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL4421518 0.83 MAPT (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3166/4885SMN1; SMN2 4003/4885KMT2A 1892/4885

“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.