SCHEMBL11935680

SCHEMBL11935680

NCCCCCNc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
PDGFRA P16234 2/20 0.39
CDK2 P24941 1/20 0.39
FLT3 P36888 1/20 0.39
PARP10 Q53GL7 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.37
PRSS1 P07477 4/20 0.36
F2 P00734 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36

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
SCHEMBL7425490 0.86 ALDH1A1 (0.48) ALDH1A1TSHRCTSKCTSLCTSS
SCHEMBL11935703 0.86 CTSL (0.43) CTSKCTSLCTSSFLT3ACACB
SCHEMBL11935684 0.84 HDAC4 (0.43) ALDH1A1CTSKCTSLCTSSMAPT
SCHEMBL11935704 0.82 HDAC4 (0.44) ALDH1A1CTSKCTSLCTSSMAPT
SCHEMBL11935846 0.81 IRAK4 (0.38) CTSKCTSLCTSSACACBGAA
SCHEMBL11935722 0.79 GAA (0.37) CTSKCTSLCTSSPDGFRACDK2
SCHEMBL11935702 0.78 HRH3 (0.49) ALDH1A1CTSKPDGFRACDK2FLT3
SCHEMBL11935705 0.78 HRH3 (0.39) ALDH1A1TSHRACACBACACAHRH3
SCHEMBL13565527 0.77 CTSL (0.38) ALDH1A1TSHRCTSKCTSLCTSS
SCHEMBL13565799 0.77 GRIA1 (0.44) ALDH1A1TSHRCTSKCTSLCTSS

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 ALDH1A1 3842/4885TSHR 117/4885CTSK 2341/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885TSHR 153/4885CTSK 2545/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885TSHR 92/4885CTSK 2047/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885TSHR 152/4885CTSK 2553/4885

“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.