SCHEMBL5216880

SCHEMBL5216880

CC(C)(C)OC(=O)NC1CCC(n2[nH]c(=O)c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.43
JAK2 O60674 2/20 0.43
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CACNA1E Q15878 1/20 0.41
CACNA2D4 Q7Z3S7 1/20 0.41

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 0.84 GPR119 (0.48) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5215605 0.78 KCNH2 (0.43) RIPK3MAPK11MAPK14
SCHEMBL5256058 0.75 MAPK11 (0.60) MAPK11MAPK14
SCHEMBL14411681 0.75 MAPK11 (0.60) MAPK11MAPK14
SCHEMBL14521933 0.73 MAPK11 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29987805 0.72 CACNB4 (0.46) JAK1JAK2CACNB4CACNA1ACACNA1G
SCHEMBL29988102 0.69 CACNB4 (0.47) JAK1JAK2CACNB4CACNA1ACACNA1G
SCHEMBL11966095 0.67 CYP17A1 (0.51) BUB1KDM4DKDM6AKMT2AL3MBTL1
SCHEMBL1570294 0.67 KDM1A (0.52) JAK1JAK2CACNB4CACNA1ACACNA1G
SCHEMBL31205836 0.67 DRD2 (0.50) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 7 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-20040152896-A1 Process for the preparation of pyrrolidinyl ethylamine compounds via a copper-mediated aryl amination CARON STEPHANE (US) 2004-08-05 US disclosed
WO-2004039785-A1 PROCESS FOR THE PREPARATION OF PYRROLIDINYL ETHYLAMINE COMPOUNDS VIA A COPPER-MEDIATED ARYL AMINATION PFIZER PRODUCTS INC. (US) 2004-05-13 WO 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 (2 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 JAK1 621/4885JAK2 1832/4885CACNB4 4814/4885
US-20040152896-A1 Process for the preparation of pyrrolidinyl ethylamine compounds via a copper-mediated aryl amination OPRK1, OPRD1, OPRM1 JAK1 366/4885JAK2 585/4885CACNB4 2305/4885

“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.