SCHEMBL4411172

SCHEMBL4411172

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(Cc3ccc(OC(F)(F)F)cc3)CC21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
CHRM4 P08173 1/20 0.47
EPHX2 P34913 6/20 0.47
CYP2C9 P11712 1/20 0.46
TEAD1 P28347 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 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
SCHEMBL4412000 0.91 ABL1 (0.52) ABL1KCNH2MAPTGAACHRM4
SCHEMBL4415238 0.90 HIF1A (0.52) MAPTCYP2C9L3MBTL1ALDH1A1HTT
SCHEMBL4414909 0.89 HIF1A (0.54) MAPTEPHX2CYP2C9L3MBTL1ALDH1A1
SCHEMBL4412368 0.89 MAPT (0.53) MAPTCYP2C9L3MBTL1ALDH1A1HTT
SCHEMBL4423658 0.88 NPC1 (0.50) MAPTGAACYP2C9L3MBTL1ALDH1A1
SCHEMBL4417594 0.88 L3MBTL1 (0.48) MAPTCYP2C9L3MBTL1ALDH1A1HTT
SCHEMBL4424930 0.87 L3MBTL1 (0.45) MAPTCYP2C9L3MBTL1HTTNPC1
SCHEMBL2170675 0.87 L3MBTL1 (0.52) MAPTGAACYP2C9L3MBTL1ALDH1A1
SCHEMBL4413305 0.87 L3MBTL1 (0.55) MAPTGAACYP2C9L3MBTL1ALDH1A1
SCHEMBL4423905 0.85 HTT (0.60) MAPTCYP2C9L3MBTL1ALDH1A1HTT

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 ABL1 1605/4885KCNH2 426/4885MAPT 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.