SCHEMBL4147593

SCHEMBL4147593

COC(=O)Cc1cccc(OCCN(C)C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.47
CCR5 P51681 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
POLB P06746 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
SCHEMBL13849581 0.88 SLC2A1 (0.46) FAAHALDH1A1
SCHEMBL13849585 0.85 ROCK1 (0.40) FAAHKDM4EALDH1A1LMNALTB4R
SCHEMBL28467850 0.80 CHRNB2 (0.56) FAAHKDM4EALDH1A1LMNALTB4R
SCHEMBL4135891 0.80 FAAH (0.43) FAAHSIGMAR1KDM4EALDH1A1LMNA
SCHEMBL25495948 0.77 KDM4E (0.56) FAAHKDM4EALDH1A1LMNA
SCHEMBL4142373 0.76 PLA2G4B (0.46) FAAHKDM4EALDH1A1LMNALTB4R
Hydrochloric Acid SCHEMBL4131422 0.75 PLA2G4B (0.45) FAAHKDM4EALDH1A1LMNALTB4R
SCHEMBL13850444 0.74 SLC2A1 (0.45) FAAH
SCHEMBL15743158 0.74 CHRM4 (0.46) RAB9ASIGMAR1ALDH1A1LMNAPOLB
SCHEMBL2768717 0.73 SLC7A5 (0.48) SIGMAR1KDM4EALDH1A1POLB

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 2884/4885CCR5 1830/4885NPC1 1352/4885

“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.