SCHEMBL1381807

SCHEMBL1381807

O=C(c1ccc(C#Cc2ccccc2)o1)N1CCC(c2cccc(CNOC(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.59
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRNA4 P43681 1/20 0.43
PRSS1 P07477 4/20 0.42
PRSS2 P07478 4/20 0.42
PRSS3 P35030 4/20 0.42
TPSAB1 Q15661 12/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL6808390 0.90 F10 (0.55) F10PRSS1PRSS2PRSS3TPSAB1
Trifluoroacetic Acid SCHEMBL1381804 0.84 F10 (0.80) F10PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4412792 0.84 TPSAB1 (0.42) F10TPSAB1
SCHEMBL4403861 0.84 TPSAB1 (0.43) F10TPSAB1
SCHEMBL4397998 0.83 TPSAB1 (0.49) TPSAB1
SCHEMBL12919537 0.82 F10 (0.53) F10NPSR1TP53MAPTTSHR
SCHEMBL4408248 0.82 F10 (0.71) F10NPSR1TP53MAPTTSHR
SCHEMBL4395814 0.77 TPSAB1 (0.51) TPSAB1
SCHEMBL4406743 0.76 RAB9A (0.52) TSHRTPSAB1MEN1KMT2A
SCHEMBL4407654 0.76 ALDH1A1 (0.52) TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4796732-B2 2011-10-19 JP claimed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP claimed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US claimed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US claimed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP claimed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO claimed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO 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 (2 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 F10 1734/4885NPSR1 405/4885TP53 4261/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 F10 1734/4885NPSR1 405/4885TP53 4261/4885

“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.