SCHEMBL3561941

SCHEMBL3561941

CCS(=O)(=O)N1CCC(c2ccccn2)([C@H](C)N)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8278472 1.00 SLC6A9 (0.50) SLC6A9KDM4EALDH1A1MAPTHSD17B10
SCHEMBL761055 0.93 SLC6A9 (0.58) SLC6A9KDM4EHSD17B10
SCHEMBL760544 0.93 SLC6A9 (0.58) SLC6A9KDM4EHSD17B10
SCHEMBL3559226 0.76 SLC6A9 (0.75) SLC6A9
SCHEMBL3558640 0.75 KDM4E (0.50) SLC6A9KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3557643 0.73 SLC6A9 (0.67) SLC6A9
SCHEMBL3565781 0.73 SLC6A9 (0.67) SLC6A9
SCHEMBL3561972 0.73 KDM4E (0.56) SLC6A9KDM4EHSD17B10
SCHEMBL3560558 0.73 SLC6A9 (0.68) SLC6A9
SCHEMBL3562067 0.73 SLC6A9 (0.90) 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 3 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
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

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 SLC6A9 33/4885KDM4E 3789/4885ALDH1A1 1871/4885

“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.