SCHEMBL1821374

SCHEMBL1821374

CC(C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
CTSL P07711 1/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL89886 0.92 CTSK (0.40) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL23138085 0.86 USP2 (0.40) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL6187275 0.86 USP2 (0.40) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL17830842 0.84 USP2 (0.45) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL23071129 0.84 USP2 (0.45) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL1476907 0.84 USP2 (0.45) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL17176669 0.83 JAK2 (0.44) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL23283111 0.83 USP2 (0.44) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL20571615 0.83 USP2 (0.44) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL10529377 0.83 USP2 (0.44) USP2SMN1; SMN2CTSKMEN1ALDH1A1

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
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
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 USP2 2988/4885SMN1; SMN2 2212/4885CTSK 3766/4885

“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.