SCHEMBL4130775

SCHEMBL4130775

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
GLS O94925 6/20 0.42
KDM4E B2RXH2 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ROCK1 Q13464 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL4147703 0.89 EPHX2 (0.45) MGLLGLSROCK1
SCHEMBL13849609 0.88 ROCK1 (0.44) GLSKDM4ETP53TSHRROCK1
SCHEMBL14148705 0.82 MGLL (0.46) MGLLGLSKDM4ETP53TSHR
SCHEMBL4144799 0.80 KDM4E (0.46) MGLLGLSKDM4ETP53TSHR
SCHEMBL12922895 0.80 GLS (0.61) GLSKDM4ETP53TSHRROCK1
SCHEMBL4135891 0.73 FAAH (0.43) KDM4EFAAHALDH1A1SLC7A5
SCHEMBL4139801 0.73 KDM4E (0.60) GLSKDM4EROCK1ALDH1A1ROCK2
SCHEMBL13850447 0.72 KDM4E (0.41) GLSKDM4ETP53TSHRROCK1
SCHEMBL17319038 0.71 MGLL (0.70) MGLLTSHRALDH1A1
SCHEMBL25379684 0.71 ALDH1A1 (0.47) MGLLKDM4EALDH1A1SMN1; SMN2

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 2 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
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 MGLL 4039/4885GLS 1172/4885KDM4E 2809/4885

“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.