SCHEMBL3030178

SCHEMBL3030178

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
TACR3 P29371 12/20 0.43
TACR2 P21452 2/20 0.42
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
IGF1R P08069 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3024362 0.92 TACR3 (0.46) SLC2A1TACR3TACR2TLR7SMN1; SMN2
SCHEMBL3038770 0.91 TACR3 (0.46) SLC2A1TACR3TACR2TLR7SMN1; SMN2
SCHEMBL4357027 0.85 TACR3 (0.46) SLC2A1TACR3TACR2
SCHEMBL3035533 0.85 TACR3 (0.41) SLC2A1TACR3TLR7SMN1; SMN2MAPT
SCHEMBL4361680 0.85 TACR3 (0.45) SLC2A1TACR3TACR2
SCHEMBL4358870 0.82 TACR3 (0.43) SLC2A1TACR3TACR2TP53MAPT
SCHEMBL3037099 0.81 TACR3 (0.45) SLC2A1TACR3RXFP1SMN1; SMN2MAPT
SCHEMBL4363718 0.80 TACR3 (0.43) SLC2A1TACR3TACR2
SCHEMBL4351001 0.79 TACR3 (0.38) SLC2A1TACR3TP53RXFP1IGF1R
SCHEMBL4359090 0.78 KMT2A (0.40) SLC2A1TACR3IGF1RMAPT

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 SLC2A1 46/4885TACR3 1572/4885TACR2 665/4885

“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.