SCHEMBL3037099

SCHEMBL3037099

CN(C)C1(C(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)c2cccs2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 5/20 0.45
SLC2A1 P11166 1/20 0.38
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
CNR1 P21554 1/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4357027 0.87 TACR3 (0.46) TACR3SLC2A1KDM4EALDH1A1MEN1
SCHEMBL4361680 0.86 TACR3 (0.45) TACR3SLC2A1KDM4EALDH1A1MEN1
SCHEMBL3035533 0.82 TACR3 (0.41) TACR3SLC2A1KDM4EALDH1A1MAPT
SCHEMBL3030178 0.81 SLC2A1 (0.43) TACR3SLC2A1MAPTRXFP1SMN1; SMN2
SCHEMBL3038770 0.79 TACR3 (0.46) TACR3SLC2A1KDM4EALDH1A1MAPT
SCHEMBL4351001 0.79 TACR3 (0.38) TACR3SLC2A1MAPTMEN1KMT2A
SCHEMBL8263391 0.79 GAA (0.49) TACR3SLC2A1KDM4EALDH1A1GAA
SCHEMBL4358870 0.79 TACR3 (0.43) TACR3SLC2A1MAPTLMNA
SCHEMBL3024362 0.79 TACR3 (0.46) TACR3SLC2A1KDM4EALDH1A1HPGD
SCHEMBL4363718 0.78 TACR3 (0.43) TACR3SLC2A1

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 TACR3 1572/4885SLC2A1 46/4885KDM4E 2748/4885

“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.