SCHEMBL4151706

SCHEMBL4151706

CC(C)(C)OC(=O)CN1CCN(C(c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.56
CACNA1B Q00975 4/20 0.56
CACNB1 Q02641 4/20 0.56
CACNA1C Q13936 3/20 0.53
SLC6A9 P48067 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.48
HRH1 P35367 5/20 0.47
KCNH2 Q12809 3/20 0.47
HRH2 P25021 2/20 0.47
HTR2A P28223 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2B P41595 2/20 0.47

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
SCHEMBL4136263 0.91 SLC6A9 (0.63) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4148742 0.91 KMT2A (0.59) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4143550 0.84 SLC6A9 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4143740 0.84 MEN1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4135659 0.83 SLC6A9 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4144090 0.83 SLC6A9 (0.72) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4144684 0.82 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL14747934 0.82 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4151293 0.82 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL16472157 0.80 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP claimed
US-9663476-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
EP-2947067-A1 Glycine transporter-1 inhibitors Amgen, Inc (US) 2015-11-25 EP disclosed
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2015-10-29 US disclosed
US-8735383-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2014-05-27 US disclosed
EP-2041088-B1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC (US) 2014-01-08 EP disclosed
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP disclosed
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2012-08-02 US disclosed
US-8183244-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-05-22 US disclosed
US-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS HITCHCOCK STEPHEN 2009-09-10 US disclosed
US-7538114-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2009-05-26 US disclosed
US-20080004289-A1 Glycine transporter-1 inhibitors AMGEN INC. 2008-01-03 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 (4 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-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 CACNA2D1 3216/4885CACNA1B 2467/4885CACNB1 2118/4885
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC6A5, SLC1A2 CACNA2D1 3030/4885CACNA1B 1928/4885CACNB1 1621/4885
US-20080004289-A1 Glycine transporter-1 inhibitors SLC18A2, SLC7A11, SLC6A5 CACNA2D1 3216/4885CACNA1B 2467/4885CACNB1 2118/4885
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 CACNA2D1 3216/4885CACNA1B 2467/4885CACNB1 2118/4885

“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.