SCHEMBL4159395

SCHEMBL4159395

O=C(O)CN1CCN([C@H](c2ccccc2)c2cccc(Br)c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.67
CACNA2D1 P54289 2/20 0.55
CACNA1B Q00975 2/20 0.55
CACNB1 Q02641 2/20 0.55
CACNA1C Q13936 2/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ATM Q13315 1/20 0.52
IGF1R P08069 1/20 0.52
PKM P14618 1/20 0.52
CACNA1G O43497 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HDAC1 Q13547 1/20 0.51
MGLL Q99685 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4144245 1.00 SLC6A9 (0.67) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4144242 1.00 SLC6A9 (0.67) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL4135950 0.99 SLC6A9 (0.66) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL4151458 0.99 SLC6A9 (0.66) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL4135945 0.99 SLC6A9 (0.66) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4139144 0.88 SLC6A9 (0.68) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4145335 0.88 SLC6A9 (0.68) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4139140 0.88 SLC6A9 (0.68) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1691475 0.87 SLC6A9 (0.74) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL4145673 0.86 SLC6A9 (0.66) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C

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-8735383-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2014-05-27 US claimed
EP-2041088-B1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC (US) 2014-01-08 EP claimed
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2012-08-02 US claimed
US-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS HITCHCOCK STEPHEN 2009-09-10 US claimed
CN-101479243-A Glycine transporter-1 inhibitors AMGEN INC (US) 2009-07-08 CN claimed
US-7538114-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2009-05-26 US claimed
US-20080004289-A1 Glycine transporter-1 inhibitors AMGEN INC. 2008-01-03 US claimed
EP-2947067-A1 Glycine transporter-1 inhibitors Amgen, Inc (US) 2015-11-25 EP disclosed
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP 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 (3 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 SLC6A9 8/4885CACNA2D1 3216/4885CACNA1B 2467/4885
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC6A5, SLC1A2 SLC6A9 6/4885CACNA2D1 3030/4885CACNA1B 1928/4885
US-20080004289-A1 Glycine transporter-1 inhibitors SLC18A2, SLC7A11, SLC6A5 SLC6A9 8/4885CACNA2D1 3216/4885CACNA1B 2467/4885

“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.