SCHEMBL11935898

SCHEMBL11935898

C[C@@H]1C[C@H](C)CN(c2ccc(NCc3ccc(N)cc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.47
MAPT P10636 11/20 0.47
KDM4E B2RXH2 10/20 0.47
L3MBTL1 Q9Y468 9/20 0.47
ALOX12 P18054 8/20 0.47
ALOX15 P16050 8/20 0.47
MAPK1 P28482 7/20 0.47
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
APP P05067 1/20 0.44
SNCA P37840 1/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
GFER P55789 4/20 0.42

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
SCHEMBL11941163 1.00 GAA (0.47) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL13105592 1.00 GAA (0.47) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL11936069 1.00 GAA (0.47) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL13462817 0.85 MAPT (0.51) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL13113501 0.85 MAPT (0.51) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL11935859 0.85 MAPT (0.51) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL11935903 0.85 MAPT (0.51) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL6608413 0.82 MAPT (0.48) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL13716676 0.82 MAPT (0.48) GAAMAPTKDM4EL3MBTL1ALOX12
SCHEMBL11936094 0.79 GAA (0.50) GAAMAPTKDM4EL3MBTL1ALOX12

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-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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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 (2 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 GAA 4212/4885MAPT 3293/4885KDM4E 1765/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GAA 2277/4885MAPT 4321/4885KDM4E 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.