SCHEMBL11935447

SCHEMBL11935447

CC(C)S(=O)(=O)NC1CCC(CNc2ccc(F)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.46
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPY5R Q15761 7/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
GRIA2 P42262 5/20 0.40
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
CNR2 P34972 1/20 0.37
MAPT P10636 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
SCHEMBL11936153 1.00 GRIA4 (0.46) GRIA4KMT2ATDP1NPY5RJAK2
SCHEMBL17090415 0.91 MAPT (0.40) GRIA4KMT2ANPY5RGRIA2CNR2
SCHEMBL13564894 0.91 MAPT (0.40) GRIA4KMT2ANPY5RGRIA2CNR2
SCHEMBL17090018 0.88 KMT2A (0.46) KMT2ANPY5RBACE1
SCHEMBL13565158 0.88 KMT2A (0.46) KMT2ANPY5RBACE1
SCHEMBL17090538 0.88 CNR2 (0.47) JAK2JAK1GRIA2CNR2
SCHEMBL13564895 0.88 CNR2 (0.47) JAK2JAK1GRIA2CNR2
SCHEMBL11935089 0.86 GRIA2 (0.42) GRIA4NPY5RGRIA2
SCHEMBL17090049 0.86 GRIA2 (0.42) GRIA4NPY5RGRIA2
SCHEMBL13565165 0.85 CNR2 (0.42) GRIA4NPY5RGRIA2CNR2MAPT

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-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-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-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 GRIA4 510/4885KMT2A 2031/4885TDP1 4043/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GRIA4 608/4885KMT2A 2200/4885TDP1 4620/4885

“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.