SCHEMBL4417472

SCHEMBL4417472

CCc1ccc(CN2CC3C(CNc4ccc(N5CCCCC5)cc4)C3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
GAA P10253 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
APP P05067 1/20 0.44
SNCA P37840 1/20 0.44
HTT P42858 3/20 0.42
GFER P55789 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4417470 0.81 OPRM1 (0.44) MAPTKMT2AMEN1CYP2C19CYP2D6
SCHEMBL4421593 0.81 ALDH1A1 (0.49) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4430245 0.80 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL4413752 0.80 ALDH1A1 (0.44) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL4412123 0.75 L3MBTL1 (0.41) MAPTKMT2AALDH1A1GAAL3MBTL1
SCHEMBL4417595 0.74 S1PR1 (0.36) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL4425265 0.73 KDM4E (0.42) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL18618234 0.73 CHKA (0.56) MAPTKMT2AMEN1CYP2C19CYP2D6
SCHEMBL300433 0.73 CHKA (0.56) MAPTKMT2AMEN1CYP2C19CYP2D6
SCHEMBL4412370 0.72 L3MBTL1 (0.44) MAPTKMT2AGAAL3MBTL1HTT

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 6 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

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 MAPT 1368/4885KMT2A 1892/4885MEN1 4107/4885

“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.