SCHEMBL11935002

SCHEMBL11935002

COC(=O)Cc1cccc(NCCCCCN)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
TLR7 Q9NYK1 7/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
SYK P43405 1/20 0.40
ROCK2 O75116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
HSP90AB1 P08238 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
USP2 O75604 1/20 0.39
GHSR Q92847 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 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
SCHEMBL11935000 0.85 SELP (0.49)
SCHEMBL12028671 0.84 SLC7A5 (0.46) SLC7A5TLR7MTNR1AMTNR1BALDH1A1
SCHEMBL17090493 0.81 TLR7 (0.40) SLC7A5TLR7MTNR1AMTNR1BALDH1A1
SCHEMBL17090495 0.81 GRIA1 (0.43) SLC7A5TLR7MTNR1AMTNR1BSYK
SCHEMBL12028667 0.81 SLC7A5 (0.48) SLC7A5TLR7MTNR1AMTNR1BALDH1A1
SCHEMBL11934998 0.80 MTNR1A (0.52) TLR7MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL18530377 0.79 SLC7A5 (0.56) SLC7A5TLR7MTNR1AMTNR1BALDH1A1
SCHEMBL4979499 0.79 SLC7A5 (0.51) SLC7A5TLR7ALDH1A1GAAGFER
SCHEMBL13113859 0.79 MAPT (0.44) SYKSMN1; SMN2GHSRHTT
SCHEMBL17869670 0.77 SLC7A5 (0.56) SLC7A5TLR7ALDH1A1GAAGFER

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 5 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-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 SLC7A5 230/4885TLR7 404/4885MTNR1A 170/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R SLC7A5 248/4885TLR7 416/4885MTNR1A 211/4885

“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.