SCHEMBL11936072

SCHEMBL11936072

CC(=O)N1CCN(c2ccc(NCc3ccc(N)cc3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.79
▸ GAA P10253 12/20 0.79
▸ KDM4E B2RXH2 10/20 0.79
▸ ALOX12 P18054 9/20 0.79
▸ ALOX15 P16050 8/20 0.79
▸ ALDH1A1 P00352 8/20 0.79
▸ GFER P55789 7/20 0.79
▸ TDP1 Q9NUW8 6/20 0.79
▸ MAPK1 P28482 5/20 0.79
▸ SMN1; SMN2 Q16637 4/20 0.79
▸ MEN1 O00255 4/20 0.79
▸ KMT2A Q03164 4/20 0.79
▸ HTT P42858 3/20 0.79
▸ LMNA P02545 3/20 0.79
▸ TSHR P16473 2/20 0.79
▸ HSP90AA1 P07900 1/20 0.79
▸ HSP90AB1 P08238 1/20 0.79
▸ HSD17B10 Q99714 1/20 0.79
▸ L3MBTL1 Q9Y468 6/20 0.78
▸ CASP6 P55212 1/20 0.69

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
SCHEMBL188503 0.83 GFER (1.00) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL6152986 0.83 GFER (1.00) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL6152043 0.83 GFER (1.00) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL11935900 0.81 MAPT (0.69) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL13565357 0.81 MAPT (0.72) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL2475972 0.81 GAA (0.63) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL3548441 0.78 GFER (0.87) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL20346925 0.76 GFER (0.68) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL11936094 0.76 GAA (0.50) MAPTGAAKDM4EALOX12ALOX15
SCHEMBL15868569 0.75 GFER (0.55) MAPTGAAKDM4EALOX12ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 — — US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 — — 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-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-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
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 MAPT 3293/4885GAA 4212/4885KDM4E 1765/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885GAA 2722/4885KDM4E 1429/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3442/4885GAA 4105/4885KDM4E 2311/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885GAA 2277/4885KDM4E 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.

Send feedback