SCHEMBL4406915

SCHEMBL4406915

CC(C)(C)OC(=O)N(Cc1cncc(C2CCN(C(=O)c3cncc(CCc4ccccc4)c3)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ TP53 P04637 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TRPC6 Q9Y210 1/20 0.36
▸ THRB P10828 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PRMT5 O14744 1/20 0.36

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
SCHEMBL4399108 0.94 PARP1 (0.39) LMNAHSD11B1
SCHEMBL4401746 0.92 CCR5 (0.35) LMNAHSD11B1TP53MAPTEGLN1
SCHEMBL4405962 0.82 GRM5 (0.40) —
SCHEMBL4412034 0.82 LMNA (0.40) LMNAHSD11B1SLC2A1
SCHEMBL4399105 0.81 TPSAB1 (0.38) LMNA
SCHEMBL7027368 0.81 TPSAB1 (0.45) EGLN1
SCHEMBL4406579 0.80 NPC1 (0.41) POLBGAA
SCHEMBL7015619 0.80 NPC1 (0.41) POLBGAA
Hydrochloric Acid SCHEMBL4395982 0.80 TPSAB1 (0.44) EGLN1
SCHEMBL4395889 0.79 BCL2 (0.39) LMNATP53

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 2245/4885HSD11B1 925/4885SLC2A1 3382/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 LMNA 2245/4885HSD11B1 925/4885SLC2A1 3382/4885

“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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