SCHEMBL1050669

SCHEMBL1050669

COC(=O)c1cccc(-c2cc(CN(C(=O)c3ncn(C)n3)C(C)C)ccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ERN1 O75460 1/20 0.38
WDR5 P61964 1/20 0.37
ACLY P53396 1/20 0.37
AVPR1B P47901 1/20 0.37
IDO1 P14902 1/20 0.36
ROCK2 O75116 2/20 0.36
PDE6D O43924 1/20 0.36
CSF1R P07333 1/20 0.36
PARP1 P09874 3/20 0.35
SLC7A5 Q01650 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AXL P30530 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL1053472 0.86 MGLL (0.37) MGLLWDR5AVPR1B
SCHEMBL4545280 0.86 NTRK1 (0.41) AVPR1BHDAC6
SCHEMBL4545279 0.83 PDE4D (0.40) MGLLNPC1RAB9AERN1PARP1
SCHEMBL375299 0.82 CSF1R (0.38) MGLLNPC1RAB9AERN1WDR5
SCHEMBL4545281 0.81 ABL1 (0.41) CNR2
SCHEMBL1050127 0.72 AVPR1B (0.45) WDR5AVPR1B
SCHEMBL1053581 0.71 SLC6A9 (0.52)
SCHEMBL4545283 0.70 SLC6A9 (0.43)
SCHEMBL4545290 0.70 SLC6A9 (0.43) AVPR1B
SCHEMBL1053576 0.70 SLC6A9 (0.44) AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454240-A1 GLYCINE TRANSPORTER INHIBITORS Taisho Pharmaceutical Co., Ltd. (JP) 2012-05-23 EP disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
WO-2011007899-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 MGLL 1518/4885NPC1 171/4885RAB9A 968/4885

“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.