SCHEMBL4417982

SCHEMBL4417982

Fc1cc(NCC2C3CN(Cc4ccccn4)CC23)ccc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
CSNK1D P48730 1/20 0.40
NPY5R Q15761 2/20 0.40
SRPK1 Q96SB4 1/20 0.39
DGAT1 O75907 1/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MTOR P42345 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL4422636 0.86 NPY5R (0.46) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4419245 0.85 NPC1 (0.46) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4423654 0.85 NPC1 (0.39) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4417838 0.85 FAAH (0.42) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4422629 0.84 ALDH1A1 (0.41) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4423907 0.84 HTT (0.50) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4417980 0.83 HTT (0.50) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4417584 0.83 KDM4E (0.47) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL2180736 0.82 CYP2A13 (0.46) HTTNPC1RAB9AL3MBTL1MAPT
SCHEMBL4421360 0.82 NPC1 (0.43) HTTNPC1RAB9AL3MBTL1MAPT

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.