SCHEMBL4135891

SCHEMBL4135891

COC(=O)Cc1cccc(OCCN(C)CC2(O)CCN(C(=O)O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.36
SLC7A5 Q01650 1/20 0.36
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H3 Q13133 1/20 0.35

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
SCHEMBL13849603 0.88 EPHX2 (0.39) FAAH
SCHEMBL4147593 0.80 FAAH (0.47) FAAHKDM4EALDH1A1SIGMAR1LTB4R
SCHEMBL28467850 0.76 CHRNB2 (0.56) FAAHLTA4HKDM4EALDH1A1MAPT
SCHEMBL13849587 0.74 LTA4H (0.51) LTA4HKDM4EALDH1A1LTB4RLTB4R2
SCHEMBL4130775 0.73 MGLL (0.43) FAAHKDM4EALDH1A1SLC7A5
SCHEMBL25495948 0.72 KDM4E (0.56) FAAHKDM4EALDH1A1MAPTACHE
SCHEMBL27655696 0.71 NAMPT (0.43) KDM4EALDH1A1SIGMAR1ACHEBCHE
SCHEMBL4577771 0.71 ALDH1A1 (0.51) LTA4HALDH1A1ACHEBCHECYP2D6
SCHEMBL4591768 0.70 LTB4R (0.50) KDM4EALDH1A1SIGMAR1LTB4RLTB4R2
SCHEMBL14025120 0.70 ACHE (0.49) LTA4HKDM4EACHEBCHECYP2D6

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 FAAH 2884/4885LTA4H 1647/4885KDM4E 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.