SCHEMBL3024362

SCHEMBL3024362

CCCCC(NC(=O)c1cc(C(F)(F)F)nc2ccccc12)C1(N(C)C)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.46
NR2E1 Q9Y466 1/20 0.42
SLC2A1 P11166 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SLC6A9 P48067 1/20 0.39
TACR2 P21452 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
SCN1A P35498 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL3030178 0.92 SLC2A1 (0.43) TACR3NR2E1SLC2A1SMN1; SMN2TACR2
SCHEMBL3038770 0.88 TACR3 (0.46) TACR3SLC2A1SMN1; SMN2TACR2TLR7
SCHEMBL3035533 0.83 TACR3 (0.41) TACR3SLC2A1SMN1; SMN2TLR7KDM4E
SCHEMBL4357027 0.83 TACR3 (0.46) TACR3SLC2A1TACR2KDM4EALDH1A1
SCHEMBL4361680 0.82 TACR3 (0.45) TACR3SLC2A1TACR2KDM4EALDH1A1
SCHEMBL4358870 0.80 TACR3 (0.43) TACR3SLC2A1TACR2LMNA
SCHEMBL3037099 0.79 TACR3 (0.45) TACR3SLC2A1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4363718 0.78 TACR3 (0.43) TACR3SLC2A1TACR2
SCHEMBL4351001 0.77 TACR3 (0.38) TACR3SLC2A1SLC6A9GAA
SCHEMBL4359090 0.76 KMT2A (0.40) TACR3SLC2A1SLC6A9GAA

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 1572/4885NR2E1 4194/4885SLC2A1 46/4885

“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.