SCHEMBL4413752

SCHEMBL4413752

CCc1ccc(CN2CC3C(CNc4ccc(C(C)(C)C)cc4)C3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR1 P21453 6/20 0.41
S1PR5 Q9H228 4/20 0.41
S1PR4 O95977 3/20 0.41
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TEAD1 P28347 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
S1PR3 Q99500 1/20 0.36
NPY5R Q15761 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL4413492 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTRAB9AS1PR1
SCHEMBL4421593 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTRAB9AS1PR1
SCHEMBL4430245 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTRAB9AS1PR1
SCHEMBL4418921 0.80 F10 (0.42) ALDH1A1KDM4EMAPTRAB9ALMNA
SCHEMBL4417472 0.80 MAPT (0.44) ALDH1A1KDM4EMAPTRAB9ALMNA
SCHEMBL4425014 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTRAB9ALMNA
SCHEMBL4413751 0.78 RAB9A (0.50) ALDH1A1KDM4EMAPTRAB9AS1PR1
SCHEMBL4417595 0.76 S1PR1 (0.36) ALDH1A1KDM4EMAPTRAB9AS1PR1
SCHEMBL4422752 0.76 MAPT (0.41) ALDH1A1KDM4EMAPTRAB9AS1PR1
SCHEMBL4420889 0.75 MAOB (0.45) ALDH1A1KDM4EMAPTRAB9ATEAD1

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 3166/4885KDM4E 2032/4885MAPT 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.