SCHEMBL11935652

SCHEMBL11935652

CC(C)NC(=O)c1ccc(NCCCCCN)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
CTSS P25774 6/20 0.47
CTSL P07711 5/20 0.47
CTSK P43235 3/20 0.47
PRSS1 P07477 6/20 0.46
F2 P00734 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TMPRSS6 Q8IU80 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
NAMPT P43490 2/20 0.42

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
SCHEMBL11935688 0.88 ALDH1A1 (0.51) MLYCDCTSSCTSLCTSKPRSS1
SCHEMBL11935029 0.84 NPSR1 (0.49) CTSSCTSLCTSK
SCHEMBL21000000 0.82 NAMPT (0.57) MLYCDPRSS1F2PRSS2PRSS3
SCHEMBL11935795 0.81 TAS1R3 (0.41) MLYCDCTSSCTSLCTSK
SCHEMBL13565322 0.81 GRIA1 (0.49) MLYCDCTSSCTSLCTSKPRSS1
SCHEMBL11934949 0.80 PRSS1 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11935841 0.80 GART (0.43) ALDH1A1
SCHEMBL11935689 0.80 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL13565343 0.79 MLYCD (0.45) MLYCDCTSSCTSLCTSKPRSS1
SCHEMBL11935669 0.79 PRSS1 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6

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 MLYCD 3187/4885CTSS 1949/4885CTSL 2775/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MLYCD 1644/4885CTSS 1983/4885CTSL 3286/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MLYCD 3736/4885CTSS 1380/4885CTSL 2527/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MLYCD 1292/4885CTSS 2221/4885CTSL 3261/4885

“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.