SCHEMBL1817865

SCHEMBL1817865

CCS(=O)(=O)N1CCC(CN)(CC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MCL1 Q07820 1/20 0.34
DHFR P00374 1/20 0.32
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL5067775 0.76
SCHEMBL25566288 0.76 CYP2D6 (0.40) POLBCYP2D6KDM4ELMNA
SCHEMBL3379442 0.75 SLC6A9 (0.46) POLBL3MBTL1KDM4ETSHRDHFR
SCHEMBL23123018 0.74
SCHEMBL1819198 0.71 POLB (0.39) POLBNPSR1L3MBTL1CYP2D6SMN1; SMN2
SCHEMBL2633895 0.71 USP2 (0.35) SMN1; SMN2TSHRLMNA
SCHEMBL1818729 0.69 SLC6A9 (0.39) SMN1; SMN2KDM4ETSHRLMNAMAPK1
SCHEMBL860116 0.69 USP2 (0.43) SMN1; SMN2TSHRLMNA
SCHEMBL18400630 0.69 POLB (0.41) POLBNPSR1L3MBTL1CYP2D6SMN1; SMN2
SCHEMBL14417816 0.67 POLB (0.38) POLBNPSR1L3MBTL1KDM4ETSHR

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
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
EP-1942893-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007053400-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-05-10 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-20090270451-A1 Piperdine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 POLB 3570/4885NPSR1 284/4885L3MBTL1 1881/4885

“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.