SCHEMBL5704790

SCHEMBL5704790

COc1ccc2[nH]ccc2c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ GOT1 P17174 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ SMPD3 Q9NY59 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ STS P08842 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 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
SCHEMBL31639520 0.85 MAPT (0.43) GOT1ALDH1A1LMNAMAPTGPR119
SCHEMBL5704899 0.85 DRD2 (0.50) GOT1ALDH1A1LMNAMAPTJAK1
SCHEMBL2228589 0.83 MAPT (0.41) GOT1ALDH1A1LMNAMAPTGPR119
SCHEMBL5704985 0.81 GOT1 (0.45) PDE4BPDE4APDE4CPDE4DGOT1
SCHEMBL30885791 0.79 GAA (0.60) GOT1MAPT
SCHEMBL1537795 0.79 GAA (0.60) GOT1MAPT
SCHEMBL24846895 0.77 GPR119 (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1774609 0.76 KIT (0.51) ALDH1A1LMNAMAPTGPR119JAK1
SCHEMBL5704900 0.75 GAA (0.56) GOT1MAPT
SCHEMBL246627 0.74 TSHR (0.63) ALDH1A1LMNAHPGDSTP53

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 PDE4B 349/4885PDE4A 470/4885PDE4C 507/4885

“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.

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