SCHEMBL4425012

SCHEMBL4425012

CC(C)(C)c1ccc(CN2CC3C(CNC(=O)c4ccc(C(=O)N5CCOCC5)cc4)C3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HRH3 Q9Y5N1 5/20 0.49
HPGD P15428 1/20 0.48
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 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
SCHEMBL4430223 0.92 HRH3 (0.52) ALDH1A1GAAKMT2AMEN1HRH3
SCHEMBL4420964 0.90 ALDH1A1 (0.53) ALDH1A1GAAKMT2AMEN1HPGD
SCHEMBL4425014 0.90 ALDH1A1 (0.52) ALDH1A1GAAKMT2AMEN1HRH3
SCHEMBL4412087 0.89 MAPT (0.57) ALDH1A1KMT2AMEN1HPGDRAB9A
SCHEMBL4420887 0.83 USP30 (0.49) ALDH1A1KMT2AHPGDRAB9AKDM4E
SCHEMBL4421362 0.83 ALDH1A1 (0.56) ALDH1A1GAAKMT2AHPGDRAB9A
SCHEMBL4430225 0.82 HRH3 (0.51) ALDH1A1GAAKMT2AMEN1HRH3
SCHEMBL4420965 0.79 ALDH1A1 (0.53) ALDH1A1GAAKMT2AMEN1HPGD
SCHEMBL4414853 0.78 SMN1; SMN2 (0.44) ALDH1A1GAAKMT2AMEN1HPGD
SCHEMBL4418919 0.77 MAPT (0.53) ALDH1A1KMT2AMEN1HPGDRAB9A

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 3166/4885GAA 1239/4885KMT2A 1892/4885

“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.