SCHEMBL11935487

SCHEMBL11935487

NC1CCC(CNc2cccc(OC3CCCCC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.43
MEF2D Q14814 4/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
PRKCQ Q04759 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
OPRK1 P41145 3/20 0.36
ITK Q08881 1/20 0.36
CCNT1 O60563 1/20 0.36
F10 P00742 1/20 0.36
EP300 Q09472 1/20 0.36
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MTNR1A P48039 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL13439219 1.00 HDAC4 (0.43) HDAC4MEF2DF2PLGPLAU
SCHEMBL13439248 0.99 HDAC4 (0.44) HDAC4MEF2DF2PLGPLAU
SCHEMBL11935513 0.99 HDAC4 (0.44) HDAC4MEF2DF2PLGPLAU
SCHEMBL13439233 0.84 ALDH1A1 (0.40) HRH3ALDH1A1GAAMAPT
SCHEMBL11935488 0.84 ALDH1A1 (0.40) HRH3ALDH1A1GAAMAPT
SCHEMBL13438692 0.80 ALDH1A1 (0.42) PRKCQSIRT2ALDH1A1MAPT
SCHEMBL11934817 0.80 ALDH1A1 (0.42) PRKCQSIRT2ALDH1A1MAPT
SCHEMBL13439032 0.79 HDAC4 (0.39) HDAC4MEF2DF2PLGPLAU
SCHEMBL11942258 0.79 HDAC4 (0.39) HDAC4MEF2DF2PLGPLAU
SCHEMBL11934847 0.79 HDAC4 (0.45) HDAC4MEF2DPLAUPRKCQF10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HDAC4 2119/4885MEF2D 3249/4885F2 3006/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HDAC4 1693/4885MEF2D 2963/4885F2 3413/4885

“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.