SCHEMBL2178940

SCHEMBL2178940

Fc1cc(NCC2C3CN(Cc4c[nH]c5ccccc45)CC23)ccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 7/20 0.41
DRD4 P21917 6/20 0.41
DRD3 P35462 6/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.39
JAK2 O60674 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4421469 0.85 PIK3C2B (0.45) ALDH1A1MAPTL3MBTL1DRD2DRD4
SCHEMBL4419946 0.84 MAPT (0.51) HRH3GLAALDH1A1MAPTL3MBTL1
SCHEMBL2180736 0.83 CYP2A13 (0.46) MAPTL3MBTL1DRD4LMNAHTT
SCHEMBL4422629 0.83 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1LMNAHTT
SCHEMBL4419245 0.82 NPC1 (0.46) ALDH1A1MAPTL3MBTL1LMNAHTT
SCHEMBL4421360 0.79 NPC1 (0.43) HRH3ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4423662 0.79 CNR2 (0.42) ALDH1A1MAPTL3MBTL1DRD4LMNA
SCHEMBL4412370 0.79 L3MBTL1 (0.44) MAPTL3MBTL1LMNAHTTGAA
SCHEMBL4413699 0.79 GAA (0.48) ALDH1A1MAPTL3MBTL1LMNAHTT
SCHEMBL4413545 0.79 NPC1 (0.43) ALDH1A1MAPTL3MBTL1DRD4GAA

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 10 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
JP-4732354-B2 2011-07-27 JP 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 HRH3 459/4885GLA 1219/4885ALDH1A1 3166/4885

“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.