SCHEMBL11940063

SCHEMBL11940063

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.44
▸ MAOA P21397 1/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ F12 P00748 7/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL13438961 1.00 MAOB (0.44) MAOBMAOACA12CA9KDM4E
SCHEMBL13439125 0.86 MAOB (0.44) MAOBMAOACA12CA9KDM4E
SCHEMBL17090112 0.84 MAOB (0.43) MAOBMAOACA12CA9KDM4E
SCHEMBL11935262 0.84 MAOB (0.43) MAOBMAOACA12CA9KDM4E
SCHEMBL13438956 0.82 ACHE (0.42) CA9KDM4EALDH1A1MEN1GAA
SCHEMBL11940065 0.82 ACHE (0.42) CA9KDM4EALDH1A1MEN1GAA
SCHEMBL17090021 0.80 MAOB (0.43) MAOBMAOACA12CA9KDM4E
SCHEMBL13565461 0.80 MAOB (0.43) MAOBMAOACA12CA9KDM4E
SCHEMBL11940101 0.76 MAOB (0.47) MAOBMAOACA12CA9KDM4E
SCHEMBL13438992 0.71 JAK2 (0.39) ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — 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
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 — — US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R MAOB 274/4885MAOA 324/4885CA12 3342/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAOB 424/4885MAOA 625/4885CA12 2987/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAOB 219/4885MAOA 289/4885CA12 4169/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAOB 358/4885MAOA 509/4885CA12 2605/4885

“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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