SCHEMBL2179954

SCHEMBL2179954

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(S(=O)(=O)c3cccc4cccnc34)CC21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
MAPK1 P28482 6/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 2/20 0.51
GAA P10253 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL4412102 0.86 HTT (0.49) MAPTHTT
SCHEMBL2179959 0.85 L3MBTL1 (0.52) TP53MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4423583 0.81 ALDH1A1 (0.49) MAPK1MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6501565 0.79 LMNA (0.48) TP53MAPTALDH1A1L3MBTL1LMNA
SCHEMBL4415659 0.79 HTT (0.43) MAPK1MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4417870 0.78 ALDH1A1 (0.53) MAPK1MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6509182 0.77 NAMPT (0.46) MAPK1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL4415375 0.77 HTT (0.53) MAPK1SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL4552446 0.77 EPHX2 (0.47) MAPTSMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL4414453 0.77 EPHX2 (0.54) MAPK1SMN1; SMN2ALDH1A1GAAHSD17B10

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 10 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
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 TP53 3414/4885MAPK1 2572/4885MAPT 1368/4885

“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.