SCHEMBL3379442

SCHEMBL3379442

CCS(=O)(=O)N1CCC(CN)(CC2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.46
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
DHFR P00374 1/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1818729 0.90 SLC6A9 (0.39) SLC6A9LMNAMAPK1KDM4EALDH1A1
SCHEMBL1818280 0.83 SLC6A9 (0.37) SLC6A9
SCHEMBL13225082 0.79 SLC6A9 (0.39) SLC6A9LMNAMAPK1MEN1KMT2A
SCHEMBL1819318 0.78 PKM (0.47) SLC6A9LMNAMAPK1MEN1KMT2A
SCHEMBL1817865 0.75 POLB (0.40) LMNAMAPK1KDM4EPOLBL3MBTL1
SCHEMBL3378135 0.72 SLC6A9 (0.37) SLC6A9LMNAMAPK1MEN1KMT2A
SCHEMBL678749 0.71 SLC6A9 (0.54) SLC6A9LMNAALDH1A1ALOX15L3MBTL1
SCHEMBL1818316 0.71 NAMPT (0.35) LMNAALDH1A1TSHR
SCHEMBL16977567 0.69 NCF1 (0.52) LMNAMAPK1KDM4EPOLBALDH1A1
SCHEMBL3538540 0.68 SLC6A9 (0.44) SLC6A9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797035-B1 CYCLOPROPYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2010-11-17 EP disclosed
EP-1797035-B1 CYCLOPROPYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2010-11-17 EP disclosed
US-7776886-B2 Cyclopropyl piperidine glycine transporter inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-17 US disclosed
EP-1797035-A4 CYCLOPROPYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-08-05 EP disclosed
US-20080108663-A1 Cyclopropyl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2008-05-08 US disclosed
EP-1797035-A2 CYCLOPROPYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006039221-A2 CYCLOPROPYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2006-04-13 WO disclosed
WO-2006039221-A2 CYCLOPROPYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2006-04-13 WO 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-20080108663-A1 Cyclopropyl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 SLC6A9 31/4885LMNA 4415/4885MAPK1 2668/4885

“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.