SCHEMBL11934867

SCHEMBL11934867

N#CCOc1cccc(NCC2CCC(N)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.45
F10 P00742 1/20 0.39
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
BRD4 O60885 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
FFAR1 O14842 1/20 0.33
CRHR1 P34998 1/20 0.32
USP30 Q70CQ3 1/20 0.32
VNN1 O95497 1/20 0.32
PAK4 O96013 1/20 0.32
PAK1 Q13153 1/20 0.32

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
SCHEMBL13438731 1.00 PRKCQ (0.45) PRKCQF10HTTHSD17B10NR1H4
SCHEMBL11934847 0.83 HDAC4 (0.45) PRKCQF10HTTHSD17B10NR1H4
SCHEMBL13438720 0.83 HDAC4 (0.45) PRKCQF10HTTHSD17B10NR1H4
SCHEMBL13438717 0.81 F10 (0.40) PRKCQF10NR1H4BRD4MAPKAPK2
SCHEMBL11934843 0.81 F10 (0.40) PRKCQF10NR1H4BRD4MAPKAPK2
SCHEMBL11935190 0.81 LMNA (0.43) PRKCQF10NR1H4MAPKAPK2HDAC4
SCHEMBL13438715 0.80 THRB (0.46) PRKCQF10NR1H4
SCHEMBL11934851 0.80 THRB (0.46) PRKCQF10NR1H4
SCHEMBL13105704 0.80 F10 (0.39) PRKCQF10NR1H4BRD4MAPKAPK2
SCHEMBL13438692 0.79 ALDH1A1 (0.42) PRKCQHTTSIRT2FFAR1CRHR1

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 8 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-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-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 PRKCQ 3402/4885F10 1576/4885HTT 1625/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PRKCQ 3365/4885F10 1653/4885HTT 1879/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PRKCQ 2584/4885F10 932/4885HTT 1387/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PRKCQ 3368/4885F10 1439/4885HTT 1507/4885

“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.