SCHEMBL6899248

SCHEMBL6899248

C[C@H]1c2ccsc2CC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
LMNA P02545 1/20 0.39
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38
GID4 Q8IVV7 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
KEAP1 Q14145 1/20 0.35
HHAT Q5VTY9 3/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13881329 0.80 GID4 (0.32) LMNAGID4TAAR1KEAP1HHAT
SCHEMBL13117935 0.80 GID4 (0.32) LMNAGID4TAAR1KEAP1HHAT
SCHEMBL13881165 0.80 GID4 (0.32) LMNAGID4TAAR1KEAP1HHAT
SCHEMBL13881339 0.80 GID4 (0.32) LMNAGID4TAAR1KEAP1HHAT
SCHEMBL16519797 0.77 GRIN2B (0.42) GRIN2BLMNADRD3DRD2GID4
SCHEMBL4616762 0.77 GRIN2B (0.39) GRIN2BLMNADRD3DRD2GID4
SCHEMBL6899478 0.77 GRIN2B (0.39) GRIN2BLMNADRD3DRD2GID4
SCHEMBL22458038 0.75
SCHEMBL22458036 0.75
SCHEMBL1747061 0.75

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
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO disclosed
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
EP-1851193-B1 HIV PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-22 EP disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 US disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 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-20080249102-A1 Hiv Protease Inhibitors SERPINB1, ANPEP, XPNPEP1 GRIN2B 4004/4885LMNA 534/4885DRD3 2315/4885

“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.