SCHEMBL4398557

SCHEMBL4398557

CC(C)(C)OC(=O)N(Cc1cccc(C2CCN(C(=O)c3cncc(N(Cc4ccc5ccccc5c4)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
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DRD4 P21917 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TPSAB1 Q15661 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PARP1 P09874 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL4412034 0.93 LMNA (0.40) LMNAMEN1KMT2ASLC2A1TPSAB1
SCHEMBL4406874 0.91 LMNA (0.41) LMNANPC1RAB9ADRD4TPSAB1
SCHEMBL4404630 0.90 LMNA (0.38) LMNASLC2A1CYP3A4TPSAB1
SCHEMBL4405326 0.90 PDK1 (0.41) LMNASLC2A1CYP2C9TPSAB1
SCHEMBL4398222 0.89 LSS (0.40) SLC2A1
SCHEMBL6488116 0.88 NR1H4 (0.36) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL4396163 0.88 CHRM2 (0.39) LMNA
SCHEMBL4403834 0.88 LMNA (0.39) LMNASLC2A1TPSAB1
SCHEMBL7149405 0.86 TPSAB1 (0.36) LMNASLC2A1TPSAB1BCL9CTNNB1
SCHEMBL7142155 0.84 CHRM2 (0.35) LMNASLC2A1CYP3A4TPSAB1BCL9

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 2245/4885MEN1 2733/4885KMT2A 2305/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 LMNA 2245/4885MEN1 2733/4885KMT2A 2305/4885

“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.