SCHEMBL11935441

SCHEMBL11935441

CCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.42
CNR2 P34972 6/20 0.41
NPY5R Q15761 1/20 0.40
EPHX2 P34913 2/20 0.39
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL13439177 1.00 CRHR1 (0.42) CRHR1CNR2NPY5REPHX2LIPC
SCHEMBL11936189 0.89 NPY5R (0.49) CRHR1CNR2NPY5REPHX2LIPC
SCHEMBL13439006 0.84 CRHR1 (0.46) CRHR1CNR2EPHX2LIPCLIPG
SCHEMBL11935317 0.84 CRHR1 (0.46) CRHR1CNR2EPHX2LIPCLIPG
SCHEMBL11936150 0.81 CRHR1 (0.43) CRHR1CNR2NPY5REPHX2LIPC
SCHEMBL11935326 0.81 CRHR1 (0.43) CRHR1CNR2NPY5REPHX2LIPC
SCHEMBL13565767 0.81 ALDH1A1 (0.39) CNR2
SCHEMBL17090178 0.81 CRHR1 (0.41) CRHR1CNR2NPY5REPHX2LIPC
SCHEMBL13566025 0.81 CRHR1 (0.41) CRHR1CNR2NPY5REPHX2LIPC
SCHEMBL14424375 0.80 NPY5R (0.58) NPY5REPHX2

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 CRHR1 21/4885CNR2 39/4885NPY5R 1/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CRHR1 57/4885CNR2 67/4885NPY5R 1/4885

“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.