SCHEMBL16817867

SCHEMBL16817867

CC(C)(C)N(C(=O)O)[C@H]1CNCC[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRB2 P47870 3/20 0.33
SLC6A12 P48065 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRR1 P24046 1/20 0.33
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRE P78334 1/20 0.31

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
SCHEMBL2244738 1.00 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL16817902 1.00 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL16817909 1.00 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2686885 0.88 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2242364 0.88 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2242371 0.88 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2686886 0.88 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2181109 0.88 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2423080 0.86 GBA1 (0.37)
SCHEMBL3278934 0.86 GBA1 (0.37)

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-9518054-B2 2-(azaindol-2-yl) benz imidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2016-12-13 US disclosed
US-20160009716-A1 2 - (AZAINDOL-2-YL) BENZ IMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2016-01-14 US disclosed
US-9127003-B2 2-(azaindol-2-yl)benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2015-09-08 US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 US 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 (2 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-20160009716-A1 2 - (AZAINDOL-2-YL) BENZ IMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 SLC6A1 3048/4885SLC6A11 3542/4885SLC6A13 2882/4885
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 SLC6A1 3079/4885SLC6A11 3602/4885SLC6A13 2782/4885

“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.