SCHEMBL4418852

SCHEMBL4418852

CC(C)c1ccc(CN2CC3C(C2)C3C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LDHA P00338 1/20 0.47
LDHB P07195 1/20 0.47
P2RX3 P56373 1/20 0.46
HTT P42858 2/20 0.46
MTOR P42345 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 5/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
NPY2R P49146 1/20 0.44

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
SCHEMBL4425268 0.91 L3MBTL1 (0.48) ALDH1A1MAPTL3MBTL1LDHALDHB
SCHEMBL2170675 0.90 L3MBTL1 (0.52) ALDH1A1MAPTGAAL3MBTL1HTT
SCHEMBL4412368 0.90 MAPT (0.53) ALDH1A1MAPTL3MBTL1HTTMTOR
SCHEMBL4417594 0.89 L3MBTL1 (0.48) ALDH1A1MAPTL3MBTL1HTTMTOR
SCHEMBL4415238 0.88 HIF1A (0.52) ALDH1A1MAPK1MAPTL3MBTL1HTT
SCHEMBL4423761 0.88 MTOR (0.49) ALDH1A1MAPTL3MBTL1P2RX3HTT
SCHEMBL2178015 0.87 L3MBTL1 (0.47) ALDH1A1MAPK1MAPTL3MBTL1HTT
SCHEMBL4414909 0.87 HIF1A (0.54) ALDH1A1MAPTL3MBTL1LDHALDHB
SCHEMBL4423905 0.86 HTT (0.60) ALDH1A1MAPK1MAPTL3MBTL1LDHA
SCHEMBL4413542 0.86 MCHR1 (0.55) ALDH1A1MAPK1MAPTL3MBTL1HTT

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 ALDH1A1 3166/4885MAPK1 2572/4885MAPT 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.