SCHEMBL11935907

SCHEMBL11935907

CC(C)[C@@H]1CN(c2ccc(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
GAA P10253 9/20 0.47
ALOX12 P18054 9/20 0.47
ALOX15 P16050 8/20 0.47
KDM4E B2RXH2 7/20 0.47
L3MBTL1 Q9Y468 6/20 0.47
MAPK1 P28482 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GFER P55789 3/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL11940097 1.00 MAPT (0.47) MAPTGAAALOX12ALOX15KDM4E
SCHEMBL13565948 0.88 MAPT (0.49) MAPTGAAALOX12ALOX15KDM4E
SCHEMBL11936070 0.82 GAA (0.57) MAPTGAAALOX12ALOX15KDM4E
SCHEMBL13462877 0.82 GAA (0.57) MAPTGAAALOX12ALOX15KDM4E
SCHEMBL10116230 0.82 MAPT (0.51) MAPTALOX15KDM4EL3MBTL1MAPK1
SCHEMBL10134519 0.82 MAPT (0.51) MAPTALOX15KDM4EL3MBTL1MAPK1
SCHEMBL17090271 0.80 TRPA1 (0.35) MAPTGAAALOX12ALOX15KDM4E
SCHEMBL13565139 0.80 TRPA1 (0.35) MAPTGAAALOX12ALOX15KDM4E
SCHEMBL17090192 0.79 TRPA1 (0.37) MAPTGAAALOX12ALOX15KDM4E
SCHEMBL13565110 0.79 TRPA1 (0.37) MAPTGAAALOX12ALOX15KDM4E

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 8 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-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-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 MAPT 3293/4885GAA 4212/4885ALOX12 1010/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885GAA 2722/4885ALOX12 930/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3442/4885GAA 4105/4885ALOX12 2124/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885GAA 2277/4885ALOX12 810/4885

“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.