SCHEMBL4423905

SCHEMBL4423905

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(Cc3ccncc3)CC21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 4/20 0.47
MTOR P42345 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.43
S1PR1 P21453 1/20 0.43
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
USP30 Q70CQ3 1/20 0.43
DGAT1 O75907 1/20 0.43

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 0.91 MAPT (0.53) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4417594 0.90 L3MBTL1 (0.48) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4417580 0.89 HTT (0.52) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4414909 0.89 HIF1A (0.54) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL2170675 0.89 L3MBTL1 (0.52) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4419442 0.88 HTT (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4421036 0.88 HTT (0.48) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4415454 0.87 HTT (0.48) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4423761 0.86 MTOR (0.49) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4415238 0.86 HIF1A (0.52) HTTNPC1RAB9AKMT2AL3MBTL1

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 HTT 1090/4885NPC1 301/4885RAB9A 816/4885

“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.