SCHEMBL4403349

SCHEMBL4403349

CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)c3cccc(N(Cc4ccccc4)C(=O)OC(C)(C)C)c3)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
PARP1 P09874 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN11 Q06124 1/20 0.39
TPSAB1 Q15661 3/20 0.39
HSD11B1 P28845 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
SCHEMBL4398651 0.94 LMNA (0.52) LMNAPARP14PARP10PARP1TPSAB1
SCHEMBL4402053 0.94 LMNA (0.42) LMNAPARP14PARP10CHRM2CHRM1
SCHEMBL4406874 0.93 LMNA (0.41) LMNAPARP14PARP10CHRM2CHRM1
SCHEMBL4402034 0.90 LMNA (0.47) LMNATPSAB1
SCHEMBL4404848 0.90 LMNA (0.41) LMNAPARP14PARP10CHRM2CHRM1
SCHEMBL4412034 0.90 LMNA (0.40) LMNATPSAB1HSD11B1
SCHEMBL4406777 0.90 LMNA (0.44) LMNAPARP14PARP10PARP1TPSAB1
SCHEMBL4403355 0.86 LMNA (0.41) LMNAPARP14PARP10CHRM2CHRM1
SCHEMBL4399211 0.85 ACACB (0.46) PARP14PARP10PARP1
SCHEMBL4404630 0.84 LMNA (0.38) LMNACHRM2CHRM1CHRM3TPSAB1

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 LMNA 2245/4885PARP14 1968/4885PARP10 1533/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 LMNA 2245/4885PARP14 1968/4885PARP10 1533/4885

“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.