SCHEMBL11936033

SCHEMBL11936033

Nc1ccc(CNc2cccc(OC3CCCC3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.55
MEF2D Q14814 5/20 0.55
EP300 Q09472 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
NOS1 P29475 1/20 0.43
CACNA1B Q00975 5/20 0.41
PDE4A P27815 1/20 0.39
ALOX12 P18054 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
SCHEMBL11936014 0.99 HDAC4 (0.54) HDAC4MEF2DEP300HRH3F2
SCHEMBL11935997 0.83 ALDH1A1 (0.55) HRH3ALDH1A1TSHRALOX12
SCHEMBL11936005 0.82 ALDH1A1 (0.54) HRH3ALDH1A1TSHRALOX12
SCHEMBL5270829 0.82 HDAC4 (0.53) HDAC4MEF2DEP300HRH3F2
SCHEMBL11936123 0.80 NR1H4 (0.44) F2BCHEACHENOS1CACNA1B
SCHEMBL13565818 0.79 HDAC4 (0.49) HDAC4MEF2DEP300HRH3F2
SCHEMBL13565305 0.79 HDAC4 (0.49) HDAC4MEF2DEP300HRH3F2
SCHEMBL13105267 0.78 HDAC4 (0.48) HDAC4MEF2DEP300HRH3F2
SCHEMBL13565296 0.78 HDAC4 (0.48) HDAC4MEF2DEP300HRH3F2
SCHEMBL2186756 0.77 CYP19A1 (0.50) ALDH1A1BCHEACHENOS1

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 HDAC4 2119/4885MEF2D 3249/4885EP300 1600/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HDAC4 1803/4885MEF2D 2833/4885EP300 1467/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HDAC4 2538/4885MEF2D 2878/4885EP300 1526/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HDAC4 1693/4885MEF2D 2963/4885EP300 1695/4885

“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.