SCHEMBL11935947

SCHEMBL11935947

Cc1cc(C(F)(F)F)ccc1NCc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 5/20 0.47
KCNQ3 O43525 4/20 0.47
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRHR1 P34998 1/20 0.43
MAOB P27338 2/20 0.42
KCNQ4 P56696 2/20 0.41
KCNQ5 Q9NR82 2/20 0.41
KIF11 P52732 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40
APP P05067 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL14014974 0.84 MEN1 (0.55) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL7560152 0.84 MAPT (0.47) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL6696272 0.82 FFAR1 (0.49) KCNQ2KCNQ3MEN1MAPTKMT2A
SCHEMBL11935988 0.81 MAPT (0.63) KCNQ2KCNQ3MEN1MAPTKMT2A
SCHEMBL11935989 0.78 SCN8A (0.42) MAOBKIF11
SCHEMBL11935980 0.76 PTPN11 (0.43) KCNQ2KCNQ3MEN1MAPTKMT2A
SCHEMBL11935987 0.76 MAPT (0.50) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL11935983 0.76 KCNQ2 (0.39) KCNQ2KCNQ3MEN1KMT2AKCNQ4
SCHEMBL11936090 0.76 FFAR1 (0.59) MAOBKIF11APPEGFR
SCHEMBL13565070 0.75 PPARA (0.50) KCNQ2KCNQ3MEN1MAPTKMT2A

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 KCNQ2 2249/4885KCNQ3 2066/4885MEN1 1550/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KCNQ2 3115/4885KCNQ3 3038/4885MEN1 2486/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KCNQ2 1403/4885KCNQ3 1492/4885MEN1 1233/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KCNQ2 2979/4885KCNQ3 2837/4885MEN1 2254/4885

“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.