SCHEMBL3487739

SCHEMBL3487739

C[As](C)C(=O)c1cccc(CCC2CCN(C(=O)Oc3cncc(C(N)=O)c3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
MGLL Q99685 2/20 0.42
PARP14 Q460N5 1/20 0.41
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 3/20 0.39
BCHE P06276 2/20 0.39
SIRT2 Q8IXJ6 10/20 0.38
SIRT3 Q9NTG7 10/20 0.38
SIRT1 Q96EB6 9/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL1532748 0.92 FAAH (0.54) FAAHMGLLPARP14OPRK1KCNH2
SCHEMBL1532764 0.88 FAAH (0.49) FAAHMGLLPARP14OPRK1KCNH2
SCHEMBL1532872 0.87 FAAH (0.50) FAAHMGLLPARP14OPRK1KCNH2
SCHEMBL1532848 0.86 FAAH (0.61) FAAHMGLLPARP14OPRK1KCNH2
SCHEMBL1532863 0.86 FAAH (0.49) FAAHMGLLPARP14OPRK1KCNH2
SCHEMBL1532795 0.86 FAAH (0.52) FAAHMGLLPARP14OPRK1KCNH2
SCHEMBL1532641 0.84 MGLL (0.55) FAAHMGLLPARP14OPRK1KCNH2
SCHEMBL1532788 0.82 FAAH (0.50) FAAHMGLL
SCHEMBL12736163 0.79 FAAH (0.49) FAAH
SCHEMBL12735950 0.79 FAAH (0.50) FAAHMGLLPARP14OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US 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-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 FAAH 1/4885MGLL 565/4885PARP14 1606/4885

“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.