Sugi Predict

Sugi Predict / Compounds / SCHEMBL5216121

SCHEMBL5216121

SCHEMBL5216121

COc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.48
▸ NR3C1 P04150 2/20 0.45
▸ CACNB4 O00305 2/20 0.45
▸ CACNA1A O00555 2/20 0.45
▸ CACNA1G O43497 2/20 0.45
▸ CACNG3 O60359 2/20 0.45
▸ CACNA1F O60840 2/20 0.45
▸ CACNA1H O95180 2/20 0.45
▸ CACNB3 P54284 2/20 0.45
▸ CACNA2D1 P54289 2/20 0.45
▸ CACNG7 P62955 2/20 0.45
▸ CACNA1B Q00975 2/20 0.45
▸ CACNA1D Q01668 2/20 0.45
▸ CACNB1 Q02641 2/20 0.45
▸ CACNG1 Q06432 2/20 0.45
▸ CACNB2 Q08289 2/20 0.45
▸ CACNA1S Q13698 2/20 0.45
▸ CACNA1C Q13936 2/20 0.45
▸ CACNA1E Q15878 2/20 0.45
▸ CACNA2D4 Q7Z3S7 2/20 0.45

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
SCHEMBL5218274 0.80 GPR119 (0.48) GPR119NR3C1CACNB4CACNA1ACACNA1G
SCHEMBL2240413 0.76 BTK (0.61) GPR119NR3C1
SCHEMBL2073845 0.72 CNR1 (0.46) GPR119NR3C1CACNB4CACNA1ACACNA1G
SCHEMBL2073916 0.72 CNR1 (0.46) GPR119NR3C1CACNB4CACNA1ACACNA1G
SCHEMBL2073861 0.72 CNR1 (0.46) GPR119NR3C1CACNB4CACNA1ACACNA1G
SCHEMBL14519621 0.72 MAPK11 (0.57) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL5454776 0.72 CNR1 (0.44) GPR119CNR1CNR2STSMAPK11
SCHEMBL14519634 0.72 MAPK11 (0.55) GPR119CNR1MAPK11MAPK14
SCHEMBL2073606 0.71 CNR1 (0.45) GPR119NR3C1CACNB4CACNA1ACACNA1G
SCHEMBL14519642 0.70 MAPK11 (0.53) GPR119STSMAPK11MAPK14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 — — EP disclosed
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 — — US disclosed
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 — — EP disclosed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 — — US disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 — — 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-20040058918-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, HMGB1 GPR119 94/4885NR3C1 44/4885CACNB4 4814/4885

“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.