SCHEMBL11935993

SCHEMBL11935993

Nc1ccc(CNc2cc(F)c(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
PTGS2 P35354 1/20 0.38
ADRA2B P18089 1/20 0.38
KIF11 P52732 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRA2A P08913 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34

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
SCHEMBL11936000 0.81 KIF11 (0.53) PTGS2ADRA2BKIF11MEN1KMT2A
SCHEMBL11936001 0.78 VNN1 (0.44) KIF11MEN1KMT2AKCNQ3KCNQ2
SCHEMBL11935970 0.78 MAPT (0.54) PPARAADRA2BHTTMEN1KMT2A
SCHEMBL11935972 0.78 PPARA (0.49) PPARAADRA2BHTTKDM4ECLK1
SCHEMBL13566041 0.75 CA1 (0.39) PPARAKIF11FFAR1ADRA2A
SCHEMBL11936090 0.75 FFAR1 (0.59) KIF11FFAR1MAOB
SCHEMBL11936119 0.74 MAPT (0.49) HTTMEN1KMT2AFFAR1KDM4E
SCHEMBL13565337 0.74 PPARA (0.42) PPARAKIF11FFAR1ADRA2A
SCHEMBL11935968 0.73 MAPT (0.49) PPARAHTTMEN1KMT2AFFAR1
SCHEMBL5154356 0.72 MEN1 (0.50) HTTMEN1KMT2AKDM4EHSD17B10

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 10 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-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-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
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 PPARA 1199/4885PTGS2 2374/4885ADRA2B 95/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PPARA 623/4885PTGS2 3168/4885ADRA2B 104/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PPARA 1138/4885PTGS2 1995/4885ADRA2B 83/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PPARA 592/4885PTGS2 3287/4885ADRA2B 115/4885

“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.