SCHEMBL678749

SCHEMBL678749

CCS(=O)(=O)N1CCC(CNC(=O)C2CCCCC2)(CC2CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.54
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 2/20 0.39

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
SCHEMBL677926 0.73 SLC6A9 (0.62) SLC6A9
SCHEMBL3693197 0.72 SLC6A9 (0.66) SLC6A9
SCHEMBL679425 0.71 SLC6A9 (0.65) SLC6A9LMNA
SCHEMBL3379442 0.71 SLC6A9 (0.46) SLC6A9TSHRL3MBTL1GAALMNA
SCHEMBL3379441 0.71 SLC6A9 (1.00) SLC6A9
SCHEMBL678833 0.71 SLC6A9 (0.69) SLC6A9
SCHEMBL678835 0.71 SLC6A9 (0.64) SLC6A9
SCHEMBL679655 0.70 SLC6A9 (0.63) SLC6A9LMNA
SCHEMBL679912 0.69 SLC6A9 (0.65) SLC6A9PKMCYP2C19
SCHEMBL4003614 0.69 SLC6A9 (0.61) SLC6A9GAASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269782-A1 USE OF NMDA ACTIVITY ENHANCERS TO TREAT HYPERSOMNIA, REDUCED WAKEFULNESS OR REDUCED VIGILANCE MERCK, SHARP & DOHME LTD. (GB) 2011-11-03 US disclosed
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
US-7776886-B2 Cyclopropyl piperidine glycine transporter inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-17 US disclosed
US-7776886-B2 Cyclopropyl piperidine glycine transporter inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-17 US disclosed
US-20080108663-A1 Cyclopropyl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2008-05-08 US disclosed
US-20080108663-A1 Cyclopropyl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2008-05-08 US disclosed
US-20080108663-A1 Cyclopropyl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2008-05-08 US 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 31/4885TSHR 3329/4885L3MBTL1 1609/4885

“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.