SCHEMBL4422631

SCHEMBL4422631

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(Cc3ccc(-c4ccccn4)cc3)CC21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SCN9A Q15858 1/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
DGAT1 O75907 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4417980 0.87 HTT (0.50) MTORHTTNPC1RAB9AMAPT
SCHEMBL4423905 0.86 HTT (0.60) MTORHTTNPC1RAB9AMAPT
SCHEMBL4412368 0.86 MAPT (0.53) MTORHTTNPC1RAB9AMAPT
SCHEMBL4417594 0.85 L3MBTL1 (0.48) MTORHTTNPC1RAB9AMAPT
SCHEMBL4421036 0.85 HTT (0.48) MTORHTTNPC1RAB9AMAPT
SCHEMBL4422636 0.85 NPY5R (0.46) MTORHTTNPC1RAB9AMAPT
SCHEMBL2170675 0.84 L3MBTL1 (0.52) MTORHTTNPC1RAB9AMAPT
SCHEMBL4415454 0.84 HTT (0.48) MTORHTTNPC1RAB9AMAPT
SCHEMBL4423658 0.84 NPC1 (0.50) HTTNPC1RAB9AMAPTL3MBTL1
SCHEMBL4413542 0.83 MCHR1 (0.55) MTORHTTNPC1RAB9AMAPT

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 MTOR 1652/4885HTT 1090/4885NPC1 301/4885

“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.