SCHEMBL11935262

SCHEMBL11935262

CC(=O)c1cc2cc(NCC3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc2oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.43
▸ MAOA P21397 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ NT5E P21589 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ F12 P00748 6/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MIF P14174 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
SCHEMBL17090112 1.00 MAOB (0.43) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL13565461 0.87 MAOB (0.43) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL17090021 0.87 MAOB (0.43) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL10114398 0.85 NPY5R (0.44) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL10134437 0.85 NPY5R (0.44) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL11940063 0.84 MAOB (0.44) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL13438961 0.84 MAOB (0.44) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL12882019 0.83 MAOB (0.43) MAOBMAOAKDM4EALDH1A1CA12
SCHEMBL13565810 0.82 MEN1 (0.43) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13565122 0.82 MEN1 (0.43) KDM4EALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAOB 358/4885MAOA 509/4885KDM4E 1334/4885

“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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