SCHEMBL11934847

SCHEMBL11934847

CCOc1cccc(NCC2CCC(N)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.45
MEF2D Q14814 2/20 0.45
MAPKAPK2 P49137 1/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
F10 P00742 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRKCQ Q04759 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
PLAU P00749 1/20 0.39
SYK P43405 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13438720 1.00 HDAC4 (0.45) HDAC4MEF2DMAPKAPK2TP53CYP3A4
SCHEMBL11935190 0.90 LMNA (0.43) HDAC4MEF2DMAPKAPK2ALDH1A1KDM4E
SCHEMBL11934851 0.88 THRB (0.46) ALDH1A1F10PRKCQKMT2ANR1H4
SCHEMBL13438715 0.88 THRB (0.46) ALDH1A1F10PRKCQKMT2ANR1H4
SCHEMBL11934843 0.87 F10 (0.40) HDAC4MEF2DMAPKAPK2MAPTF10
SCHEMBL13438717 0.87 F10 (0.40) HDAC4MEF2DMAPKAPK2MAPTF10
SCHEMBL11934856 0.84 CHRNB2 (0.46) ALDH1A1KDM4EF10PRKCQLMNA
SCHEMBL13438732 0.84 CHRNB2 (0.46) ALDH1A1KDM4EF10PRKCQLMNA
SCHEMBL11934867 0.83 PRKCQ (0.45) HDAC4MEF2DMAPKAPK2F10HTT
SCHEMBL13438731 0.83 PRKCQ (0.45) HDAC4MEF2DMAPKAPK2F10HTT

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 11 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-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-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 3249/4885MAPKAPK2 1573/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HDAC4 1803/4885MEF2D 2833/4885MAPKAPK2 1547/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HDAC4 2538/4885MEF2D 2878/4885MAPKAPK2 1394/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HDAC4 1693/4885MEF2D 2963/4885MAPKAPK2 1897/4885

“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.