SCHEMBL760024

SCHEMBL760024

CCCS(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.56
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL3558640 0.93 KDM4E (0.50) SLC6A9KDM4EHSD17B10
SCHEMBL3888792 0.88 KDM4E (0.50) SLC6A9KDM4EHSD17B10
SCHEMBL3556165 0.82 SLC6A9 (0.56) SLC6A9KDM4EHSD17B10
SCHEMBL18274654 0.81 SLC6A9 (0.59) SLC6A9KDM4EHSD17B10
SCHEMBL3997790 0.81 OPRM1 (0.51) SLC6A9KDM4E
SCHEMBL3559166 0.81 KDM4E (0.46) SLC6A9KDM4EHSD17B10
SCHEMBL8279640 0.80 SLC6A9 (0.66) SLC6A9KDM4EHSD17B10
SCHEMBL16549656 0.79 ADRA1A (0.55)
SCHEMBL3561259 0.79 SLC6A9 (0.56) SLC6A9KDM4EHSD17B10
SCHEMBL6887265 0.78 ADRA1A (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP disclosed
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP disclosed
EP-1942733-B1 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-7834031-B2 Radiolabeled glycine transporter inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
US-20090269278-A1 Radiolabeled Glycine Trasporter Inhibitors MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 EP disclosed
EP-1942733-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
WO-2007041025-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 WO disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 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 (2 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-20090269278-A1 Radiolabeled Glycine Trasporter Inhibitors SLC6A5, SLC1A5, SLC1A3 SLC6A9 6/4885KDM4E 4146/4885HSD17B10 1654/4885
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 SLC6A9 33/4885KDM4E 3789/4885HSD17B10 1654/4885

“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.