SCHEMBL4413306

SCHEMBL4413306

CCCOc1ccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
HTR1A P08908 1/20 0.38
HTR2B P41595 1/20 0.38
S1PR1 P21453 1/20 0.38
FAAH O00519 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH2 P05091 1/20 0.37
NPC1 O15118 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
SCHEMBL6506969 0.93 ALDH1A1 (0.50) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL4424935 0.91 PDK1 (0.43) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL4415858 0.91 FAAH (0.42) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL4415239 0.89 SMN1; SMN2 (0.46) L3MBTL1KDM4EMAPTALDH2
SCHEMBL4412123 0.88 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAAMAPTS1PR1
SCHEMBL4418914 0.87 ALDH1A1 (0.45) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL4422665 0.87 GAA (0.39) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL4415737 0.87 P2RX3 (0.39) L3MBTL1KDM4EALDH1A1GAAALDH2
SCHEMBL2179233 0.87 MAOB (0.41) L3MBTL1GAAMAPTS1PR1ALDH2
SCHEMBL2170676 0.86 LMNA (0.44) L3MBTL1ALDH1A1GAAMAPTPOLB

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 L3MBTL1 1416/4885KDM4E 2032/4885ALDH1A1 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.