SCHEMBL5542982

SCHEMBL5542982

CN1CCc2nc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)O)sc2C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.59
▸ F2 P00734 3/20 0.56
▸ F5 P12259 1/20 0.56
▸ F9 P00740 2/20 0.56
▸ PRSS1 P07477 2/20 0.56
▸ PRSS2 P07478 2/20 0.56
▸ F7 P08709 2/20 0.56
▸ PRSS3 P35030 2/20 0.56

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
Hydrochloric Acid SCHEMBL5548981 0.99 F10 (0.58) F10F2F5F9PRSS1
SCHEMBL14496765 0.93 F10 (0.57) F10F2F5F9PRSS1
SCHEMBL14496764 0.93 F10 (0.58) F10F2F5F9PRSS1
SCHEMBL14496763 0.92 F10 (0.57) F10F2F5F9PRSS1
SCHEMBL14496627 0.92 F10 (0.60) F10F2F5F9PRSS1
SCHEMBL14497083 0.92 F10 (0.60) F10F2F5F9PRSS1
SCHEMBL14497088 0.92 F10 (0.60) F10F2F5F9PRSS1
SCHEMBL14496762 0.91 F10 (0.58) F10F2F5F9PRSS1
SCHEMBL14497075 0.91 F10 (0.56) F10F2F5F9PRSS1
SCHEMBL14497122 0.91 F10 (0.56) F10F2F5F9PRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP 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 (1 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S F10 238/4885F2 11/4885F5 116/4885

“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.

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