SCHEMBL4147703

SCHEMBL4147703

COC(=O)Cc1cccc(OCCN2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
MGLL Q99685 6/20 0.43
GLS O94925 3/20 0.40
NAMPT P43490 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ROCK1 Q13464 1/20 0.38

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
SCHEMBL14148705 0.92 MGLL (0.46) EPHX2MGLLGLSGPR119
SCHEMBL4130775 0.89 MGLL (0.43) MGLLGLSROCK1
SCHEMBL13849609 0.85 ROCK1 (0.44) EPHX2GLSROCK1
SCHEMBL23301876 0.77 EPHX2 (0.45) EPHX2MGLLGPR119
SCHEMBL12922895 0.76 GLS (0.61) EPHX2GLSROCK1
SCHEMBL13849603 0.76 EPHX2 (0.39) EPHX2GPR119
SCHEMBL17324842 0.76 MGLL (0.70) MGLLGPR119
SCHEMBL2766618 0.75 GPR119 (0.58) GPR119ROCK1
SCHEMBL30696599 0.75 EPHX2 (0.53) EPHX2GPR119
Acetic Acid SCHEMBL29910540 0.75 EPHX2 (0.43) EPHX2MGLLGPR119

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
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 EPHX2 3275/4885MGLL 4039/4885GLS 1172/4885

“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.