SCHEMBL222683

SCHEMBL222683

Cc1ccc(NC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.49
KMT2A Q03164 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
JAK2 O60674 9/20 0.43
JAK1 P23458 9/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL761108 0.89 PTPN2 (0.43) GPR119PTPN2PTPN1PTPN6JAK2
SCHEMBL17140737 0.89 JAK2 (0.52) GPR119PTPN2PTPN1PTPN6JAK2
SCHEMBL17140650 0.89 JAK2 (0.50) GPR119JAK2JAK1CYP2C19SMN1; SMN2
SCHEMBL17140954 0.88 ALDH1A1 (0.57) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL17140574 0.87 JAK2 (0.53) PTPN2PTPN1PTPN6JAK2JAK1
SCHEMBL17149470 0.85 ALDH1A1 (0.56) PTPN2PTPN1PTPN6JAK2JAK1
SCHEMBL29047987 0.84 JAK2 (0.54) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL17127589 0.83 GPR119 (0.41) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL1715446 0.82 NAMPT (0.53) GPR119KMT2AJAK2ALDH1A1MEN1
SCHEMBL29048015 0.82 JAK2 (0.46) GPR119KMT2AJAK2JAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045500-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-02-23 US disclosed
EP-2401262-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097469-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 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-20120045500-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, ODC1 GPR119 500/4885KMT2A 611/4885CA12 4659/4885

“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.