SCHEMBL11936099

SCHEMBL11936099

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NCc1ccc(NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRPF1 P55201 1/20 0.33
PARP1 P09874 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11941265 1.00 L3MBTL1 (0.36) L3MBTL1MAPTKDM4ELMNABRD4
SCHEMBL13565508 0.89 MAPT (0.37) L3MBTL1MAPTKDM4ELMNABRD4
SCHEMBL13565361 0.89 MAPT (0.37) L3MBTL1MAPTKDM4ELMNABRD4
SCHEMBL11941262 0.86 MAPT (0.46) L3MBTL1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL17090289 0.86 MAPT (0.46) L3MBTL1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL11935309 0.86 MAPT (0.46) L3MBTL1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL13566083 0.86 L3MBTL1 (0.38) L3MBTL1MAPTKDM4ELMNACRHBP
SCHEMBL17090555 0.86 L3MBTL1 (0.38) L3MBTL1MAPTKDM4ELMNACRHBP
SCHEMBL13565009 0.84 L3MBTL1 (0.37) L3MBTL1MAPTKDM4ELMNABRD4
SCHEMBL13566091 0.84 HTR1A (0.39) L3MBTL1MAPTKDM4ELMNABRD4

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 6 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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 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 L3MBTL1 3168/4885MAPT 3293/4885KDM4E 1765/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R L3MBTL1 3233/4885MAPT 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.