SCHEMBL4398499

SCHEMBL4398499

CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.Cc1cccc(C2CCN(C(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ DRD4 P21917 4/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ GPR119 Q8TDV5 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ BECN1 Q14457 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PARP14 Q460N5 1/20 0.41

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
SCHEMBL4395895 0.89 BCL2 (0.41) MAPTKMT2ADRD4GPR119LMNA
SCHEMBL4406797 0.83 GPR119 (0.47) EPHX2NPC1MAPTKMT2ADRD4
SCHEMBL4398493 0.81 EPHX2 (0.43) EPHX2KMT2ADRD2LMNANAMPT
SCHEMBL15289999 0.79 KMT2A (0.57) EPHX2KMT2AHPGDALDH1A1PARP14
SCHEMBL4403355 0.79 LMNA (0.41) NPC1KMT2ADRD2LMNAUBE2M
SCHEMBL14898171 0.79 TGM2 (0.43) EPHX2KMT2ABCL2BECN1
SCHEMBL24683938 0.77 EPHX2 (0.50) EPHX2KMT2AHPGDBCL2BECN1
SCHEMBL4402058 0.77 LMNA (0.40) EPHX2KMT2ADRD2LMNAUBE2M
SCHEMBL4398657 0.77 LMNA (0.49) DRD2LMNAUBE2MDCUN1D1
SCHEMBL4406799 0.77 TP53 (0.45) NPC1MAPTKMT2ALMNAUBE2M

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 EPHX2 827/4885NPC1 806/4885MAPT 1376/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 EPHX2 827/4885NPC1 806/4885MAPT 1376/4885

“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.

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