SCHEMBL1349581

SCHEMBL1349581

COc1cccc(SC)c1C(=O)NC(c1ccccc1)C1(N2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.55
SLC6A5 Q9Y345 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL1350280 0.87 SLC6A9 (0.45) SLC6A9SLC6A5
SCHEMBL1348719 0.85 SLC6A9 (0.57) SLC6A9SLC6A5
SCHEMBL1348705 0.84 SLC6A9 (0.44) SLC6A9SLC6A5
SCHEMBL3239665 0.84 SLC6A9 (0.56) SLC6A9SLC6A5GAAKMT2A
SCHEMBL3234727 0.83 SLC6A9 (0.56) SLC6A9SLC6A5GAAKMT2AALDH1A1
SCHEMBL1349513 0.82 SLC6A9 (0.56) SLC6A9SLC6A5
SCHEMBL3237902 0.82 SLC6A9 (0.56) SLC6A9SLC6A5ALDH1A1HPGD
SCHEMBL1349692 0.81 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL1350146 0.81 SLC6A9 (0.45) SLC6A9SLC6A5GAAKMT2AMEN1
SCHEMBL1349517 0.79 SLC6A9 (0.42) SLC6A9SLC6A5

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-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US claimed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US claimed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 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 (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-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS GLRA1, GLRA2, GRIA1 SLC6A9 20/4885SLC6A5 10/4885GAA 2064/4885

“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.