SCHEMBL3042507

SCHEMBL3042507

CN(C)C1(C(N)Cc2ccccc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
MAOA P21397 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
EPHX1 P07099 1/20 0.44
CYP2D6 P10635 1/20 0.43
OPRK1 P41145 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
ANPEP P15144 2/20 0.39
MAOB P27338 1/20 0.39
LAP3 P28838 1/20 0.39

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
SCHEMBL27820510 0.79 SLC6A2 (0.48) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL3035967 0.75 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL1661394 0.75 EPHX1 (0.47) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL1153151 0.75 EPHX1 (0.47) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL1152681 0.74 EPHX1 (0.45) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL1661396 0.74 EPHX1 (0.45) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL3237718 0.73 DPP4 (0.38) SLC6A2SLC6A4SLC6A3OPRK1HTR2A
SCHEMBL3245048 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL27651482 0.71 EPHX1 (0.47) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL1153125 0.71 EPHX1 (0.47) SLC6A2TAAR1SLC6A4SLC6A3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216837-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216837-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216837-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
EP-1874721-A2 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006067414-A2 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067414-A2 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20100216837-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 SLC6A2 4/4885TAAR1 515/4885SLC6A4 9/4885

“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.