SCHEMBL4414283

SCHEMBL4414283

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(Cc3ccc([N+](=O)[O-])cc3)CC21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 7/20 0.49
KCNJ1 P48048 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL4412368 0.89 MAPT (0.53) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4417594 0.88 L3MBTL1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2170675 0.88 L3MBTL1 (0.52) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2178015 0.86 L3MBTL1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4414909 0.86 HIF1A (0.54) MAPTALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL4423905 0.86 HTT (0.60) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4425268 0.85 L3MBTL1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4418852 0.85 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4423761 0.85 MTOR (0.49) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4415238 0.85 HIF1A (0.52) MAPTALDH1A1SMN1; SMN2LMNAMEN1

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 MAPT 1368/4885ALDH1A1 3166/4885KCNJ1 669/4885

“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.