SCHEMBL5704985

SCHEMBL5704985

COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GOT1 P17174 2/20 0.45
▸ SMPD3 Q9NY59 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ STS P08842 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL5704915 0.85 DRD2 (0.50) GOT1ALDH1A1LMNAMAPTGPR119
SCHEMBL5704854 0.85 MAPT (0.46) GOT1ALDH1A1LMNAMAPTSTS
SCHEMBL31210747 0.84 GOT1 (0.46) GOT1ALDH1A1LMNAMAPTJAK1
SCHEMBL31210541 0.84 GOT1 (0.47) GOT1ALDH1A1LMNAMAPTGPR119
SCHEMBL5704790 0.81 PDE4B (0.43) GOT1SMPD3ALDH1A1LMNAMAPT
SCHEMBL25337613 0.80 BACE1 (0.44) GOT1ALDH1A1LMNAMAPTGPR119
SCHEMBL30885791 0.77 GAA (0.60) GOT1MAPT
SCHEMBL1537795 0.77 GAA (0.60) GOT1MAPT
SCHEMBL6194062 0.76 HTR3A (0.53) LMNAMAPT
SCHEMBL4934159 0.75 JAK1 (0.53) JAK1JAK2TYK2JAK3

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
EP-1335722-B1 INDOLYL-SULFONYL- COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2006-08-30 — — EP disclosed
US-20050176705-A1 Compounds useful in the treatment of cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 — — US disclosed
EP-1335722-A2 COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-08-20 — — EP disclosed
WO-2002041889-A2 INDOLSULFONYL COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 — — 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-20050176705-A1 Compounds useful in the treatment of cns disorders SLC18A2, CNR2, TPH2 GOT1 2552/4885SMPD3 210/4885ALDH1A1 1596/4885

“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.

Send feedback