SCHEMBL4412792

SCHEMBL4412792

O=C(c1ccc(C#Cc2ccccc2)s1)N1CCC(c2cccc(CNOC(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 18/20 0.42
F10 P00742 1/20 0.41
CHRM4 P08173 1/20 0.38

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
SCHEMBL4403861 0.89 TPSAB1 (0.43) TPSAB1F10
Trifluoroacetic Acid SCHEMBL4407776 0.85 TPSAB1 (0.57) TPSAB1F10
SCHEMBL1381807 0.84 F10 (0.59) TPSAB1F10
SCHEMBL4397998 0.83 TPSAB1 (0.49) TPSAB1
SCHEMBL4395814 0.77 TPSAB1 (0.51) TPSAB1
SCHEMBL4407654 0.76 ALDH1A1 (0.52) TPSAB1
SCHEMBL6808390 0.74 F10 (0.55) TPSAB1F10CHRM4
SCHEMBL4406743 0.73 RAB9A (0.52) TPSAB1
SCHEMBL4414515 0.73 MAPK14 (0.47) TPSAB1
Trifluoroacetic Acid SCHEMBL4403857 0.72 TPSAB1 (0.58) TPSAB1F10

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 6 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 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 TPSAB1 4/4885F10 1734/4885CHRM4 580/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885F10 1734/4885CHRM4 580/4885

“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.