SCHEMBL11934908

SCHEMBL11934908

NCCCCCNc1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 8/20 0.47
▸ F2 P00734 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TMPRSS6 Q8IU80 2/20 0.47
▸ ST14 Q9Y5Y6 2/20 0.47
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.36
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 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
SCHEMBL8518743 0.83 MAPT (0.41) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11528091 0.82 MAPT (0.55) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11934926 0.82 APP (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11934906 0.82 PRSS1 (0.48) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL28385928 0.82 APP (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11748511 0.80 MAPT (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11935538 0.80 STK17A (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL22082127 0.80 ABL1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL4023262 0.80 STK17A (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11934923 0.80 PRSS1 (0.47) 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 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PRSS1 988/4885F2 3006/4885PRSS2 1471/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PRSS1 487/4885F2 1417/4885PRSS2 537/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PRSS1 1193/4885F2 3413/4885PRSS2 1586/4885

“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.

Send feedback