SCHEMBL3103064

SCHEMBL3103064

CN(O)C(=O)N1CCC(c2cc(-c3ccc(O)cc3)n(-c3ccc(O)cc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.46
▸ MALT1 Q9UDY8 4/20 0.45
▸ FAAH O00519 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ RPA1 P27694 1/20 0.38
▸ KDM1A O60341 3/20 0.38
▸ CACNA1B Q00975 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
SCHEMBL13157576 0.93 MGLL (0.45) MGLLMALT1PTGS2KDM1A
SCHEMBL3104707 0.93 MGLL (0.54) MGLLMALT1PTGS2RPA1
SCHEMBL3105667 0.93 MGLL (0.54) MGLLMALT1PTGS2RPA1
SCHEMBL3105238 0.91 KDM1A (0.46) MGLLMALT1PTGS2KDM1A
SCHEMBL3100407 0.88 PTGS2 (0.50) MGLLMALT1PTGS2RPA1
SCHEMBL13157595 0.88 MGLL (0.51) MGLLMALT1FAAHRPA1
SCHEMBL3104741 0.85 CCKAR (0.47) PTGS2
SCHEMBL13157636 0.84 PTGS2 (0.58) MALT1PTGS2
SCHEMBL13157631 0.84 PTGS2 (0.48) MGLLMALT1PTGS2RPA1KDM1A
SCHEMBL13157600 0.84 PTGS2 (0.58) MALT1PTGS2

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 MGLL 1894/4885MALT1 4787/4885FAAH 1533/4885

“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.

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