SCHEMBL4411316

SCHEMBL4411316

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
LMNA P02545 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TPSAB1 Q15661 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALPL P05186 1/20 0.33
PARP10 Q53GL7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 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
SCHEMBL7148965 0.94 RORC (0.33) RORCLMNATLR7TP53CHRM2
SCHEMBL4404630 0.90 LMNA (0.38) LMNATP53CHRM2CHRM1CHRM3
SCHEMBL4403365 0.88 TP53 (0.36) LMNATP53PARP10
SCHEMBL4411320 0.87 TLR7 (0.35) RORCLMNATLR7TP53CHRM2
SCHEMBL4412034 0.87 LMNA (0.40) LMNATPSAB1
SCHEMBL4405326 0.85 PDK1 (0.41) LMNATLR7TPSAB1ALDH1A1
SCHEMBL7142155 0.84 CHRM2 (0.35) LMNACHRM2CHRM1CHRM3TPSAB1
SCHEMBL4398557 0.84 LMNA (0.38) LMNATPSAB1CYP3A4
SCHEMBL4398222 0.83 LSS (0.40)
SCHEMBL4396163 0.83 CHRM2 (0.39) LMNACHRM2CHRM1CHRM3

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 RORC 562/4885LMNA 2245/4885TLR7 953/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 RORC 562/4885LMNA 2245/4885TLR7 953/4885

“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.