SCHEMBL3035533

SCHEMBL3035533

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.41
SLC2A1 P11166 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4357027 0.86 TACR3 (0.46) TACR3SLC2A1KDM4EALDH1A1MEN1
SCHEMBL4361680 0.85 TACR3 (0.45) TACR3SLC2A1KDM4EALDH1A1MEN1
SCHEMBL3030178 0.85 SLC2A1 (0.43) TACR3SLC2A1TLR7SMN1; SMN2MAPT
SCHEMBL3038770 0.84 TACR3 (0.46) TACR3SLC2A1TLR7SMN1; SMN2KDM4E
SCHEMBL3024362 0.83 TACR3 (0.46) TACR3SLC2A1TLR7SMN1; SMN2KDM4E
SCHEMBL3037099 0.82 TACR3 (0.45) TACR3SLC2A1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4358870 0.79 TACR3 (0.43) TACR3SLC2A1MAPTLMNAADORA2A
SCHEMBL4363718 0.79 TACR3 (0.43) TACR3SLC2A1ADORA2AADORA1
SCHEMBL4351001 0.78 TACR3 (0.38) TACR3SLC2A1GAAMAPTMEN1
SCHEMBL8263391 0.77 GAA (0.49) TACR3SLC2A1KDM4EALDH1A1GAA

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 4 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
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 46/4885TLR7 2436/4885

“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.