SCHEMBL13158105

SCHEMBL13158105

CCN(O)C(=O)N1CCC(c2cc(-c3ccccc3OC)n(-c3ccc(OC)cc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ KCNJ6 P48051 2/20 0.42
▸ KCNJ3 P48549 2/20 0.42
▸ KCNJ5 P48544 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ RPA1 P27694 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CCKAR P32238 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE5A O76074 1/20 0.36

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
SCHEMBL13158106 0.90 KCNJ6 (0.44) FABP3FABP4KCNJ6KCNJ3KCNJ5
SCHEMBL13158107 0.89 KCNJ6 (0.43) FABP3FABP4KCNJ6KCNJ3KCNJ5
SCHEMBL13157965 0.88 RPA1 (0.52) FABP3FABP4KCNJ6KCNJ3KCNJ5
SCHEMBL13157723 0.87 MGLL (0.48) MGLLRPA1PTGS2
SCHEMBL13157980 0.86 MGLL (0.50) FABP3FABP4KCNJ6KCNJ3KCNJ5
SCHEMBL13158128 0.84 CACNA1B (0.53) —
SCHEMBL13157961 0.84 CCKAR (0.47) MGLLCCKAR
SCHEMBL13157985 0.84 CCKAR (0.47) MGLLCCKAR
SCHEMBL13157974 0.83 PTGS2 (0.53) PTGS2CCKARNPSR1
SCHEMBL13157989 0.83 PTGS2 (0.53) PTGS2CCKARNPSR1

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 FABP3 4134/4885FABP4 4132/4885KCNJ6 2225/4885

“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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