SCHEMBL4411320

SCHEMBL4411320

CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.Cc1cccc(C2CCN(C(=O)c3cncc(N(Cc4ccc(Br)cc4F)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
LMNA P02545 1/20 0.34
PROKR1 Q8TCW9 1/20 0.33
ADAM10 O14672 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
AOC3 Q16853 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
RORC P51449 1/20 0.32
ALPL P05186 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL4405694 0.90 TP53 (0.36) CHRM2CHRM1CHRM3LMNAPROKR1
SCHEMBL4407001 0.88 GAA (0.35) TLR7LMNAPROKR1TP53MAPT
SCHEMBL4411316 0.87 RORC (0.35) TLR7CHRM2CHRM1CHRM3LMNA
SCHEMBL4412037 0.86 LMNA (0.38) LMNATP53MAPT
SCHEMBL4405328 0.84 TRPV6 (0.39) TLR7LMNAPROKR1TLR9TLR8
SCHEMBL4403838 0.84 LMNA (0.43) LMNAPROKR1
SCHEMBL4398226 0.83 MAPK7 (0.39) LMNATP53
SCHEMBL6488116 0.83 NR1H4 (0.36) TLR7LMNAPROKR1TP53MAPT
SCHEMBL4396166 0.82 FASN (0.37) CHRM2CHRM1CHRM3LMNA
SCHEMBL7148965 0.82 RORC (0.33) TLR7CHRM2CHRM1CHRM3LMNA

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 TLR7 953/4885CHRM2 425/4885CHRM1 603/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TLR7 953/4885CHRM2 425/4885CHRM1 603/4885

“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.