SCHEMBL13157641

SCHEMBL13157641

CCc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ CHRNA7 P36544 1/20 0.42
▸ RPA1 P27694 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ PTGS1 P23219 1/20 0.41

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
SCHEMBL13157604 1.00 MGLL (0.47) MGLLALOX5PTGS2CHRNA7RPA1
SCHEMBL3100407 0.93 PTGS2 (0.50) MGLLALOX5PTGS2RPA1PTGS1
SCHEMBL13157644 0.91 PTGS2 (0.49) MGLLALOX5PTGS2CHRNA7RPA1
SCHEMBL13157620 0.91 PTGS2 (0.49) MGLLALOX5PTGS2CHRNA7RPA1
SCHEMBL3104707 0.90 MGLL (0.54) MGLLALOX5PTGS2RPA1PTGS1
SCHEMBL3104741 0.90 CCKAR (0.47) ALOX5PTGS2
SCHEMBL3105667 0.90 MGLL (0.54) MGLLALOX5PTGS2RPA1PTGS1
SCHEMBL13157631 0.89 PTGS2 (0.48) MGLLALOX5PTGS2RPA1KDM1A
SCHEMBL13157636 0.89 PTGS2 (0.58) ALOX5PTGS2PTGS1
SCHEMBL13157600 0.89 PTGS2 (0.58) ALOX5PTGS2PTGS1

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-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

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 1894/4885ALOX5 1105/4885PTGS2 567/4885

“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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