SCHEMBL3561972

SCHEMBL3561972

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SLC6A9 P48067 19/20 0.55

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
SCHEMBL761055 0.81 SLC6A9 (0.58) KDM4EHSD17B10SLC6A9
SCHEMBL760544 0.81 SLC6A9 (0.58) KDM4EHSD17B10SLC6A9
SCHEMBL8279640 0.81 SLC6A9 (0.66) KDM4EHSD17B10SLC6A9
SCHEMBL18274654 0.81 SLC6A9 (0.59) KDM4EHSD17B10SLC6A9
SCHEMBL5039779 0.79 SLC6A9 (0.63) KDM4EHSD17B10SLC6A9
SCHEMBL760024 0.78 SLC6A9 (0.56) KDM4EHSD17B10SLC6A9
SCHEMBL3561259 0.78 SLC6A9 (0.56) KDM4EHSD17B10SLC6A9
SCHEMBL3556793 0.75 SLC6A9 (0.71) SLC6A9
SCHEMBL3559623 0.75 SLC6A9 (0.71) SLC6A9
SCHEMBL3561261 0.74 SLC6A9 (0.52) KDM4EHSD17B10SLC6A9

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-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
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-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-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 (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-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 KDM4E 3789/4885HSD17B10 1654/4885SLC6A9 33/4885

“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.