SCHEMBL4408248

SCHEMBL4408248

NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.71
PRSS1 P07477 5/20 0.60
PRSS2 P07478 5/20 0.60
PRSS3 P35030 5/20 0.60
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
TPSAB1 Q15661 6/20 0.52
NPSR1 Q6W5P4 2/20 0.51
CHRNA4 P43681 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL1381804 0.95 F10 (0.80) F10PRSS1PRSS2PRSS3MAOA
SCHEMBL301845 0.87 F10 (0.67) F10PRSS1PRSS2PRSS3MAOA
Trifluoroacetic Acid SCHEMBL6804030 0.84 F10 (0.76) F10PRSS1PRSS2PRSS3TPSAB1
Hydrochloric Acid SCHEMBL4399035 0.83 TPSAB1 (0.54) F10TPSAB1
SCHEMBL972001 0.82 F10 (0.62) F10PRSS1PRSS2PRSS3TPSAB1
SCHEMBL1381807 0.82 F10 (0.59) F10PRSS1PRSS2PRSS3MAOA
SCHEMBL12919537 0.82 F10 (0.53) F10PRSS1PRSS2PRSS3MAOA
SCHEMBL8349796 0.82 F10 (0.58) F10PRSS1PRSS2PRSS3TPSAB1
SCHEMBL1384545 0.80 TPSAB1 (0.51) F10TPSAB1
Hydrochloric Acid SCHEMBL4396234 0.79 TPSAB1 (0.50) F10TPSAB1

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
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP claimed
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 F10 224/4885PRSS1 20/4885PRSS2 28/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 F10 224/4885PRSS1 20/4885PRSS2 28/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 F10 224/4885PRSS1 20/4885PRSS2 28/4885

“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.