SCHEMBL4401746

SCHEMBL4401746

CC(C)(C)OC(=O)N(Cc1cc(O)cc(C2CCN(C(=O)c3cncc(CCc4ccccc4)c3)CC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ TRPC6 Q9Y210 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD11B1 P28845 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
SCHEMBL4406915 0.92 LMNA (0.38) TP53LMNAMAPTPOLBEGLN1
SCHEMBL4399108 0.91 PARP1 (0.39) LMNAHSD11B1
SCHEMBL7025350 0.82 TPSAB1 (0.42) CCR5EGLN1
Hydrochloric Acid SCHEMBL4403352 0.81 TPSAB1 (0.42) CCR5EGLN1
SCHEMBL4412034 0.79 LMNA (0.40) LMNAHSD11B1
SCHEMBL4405962 0.79 GRM5 (0.40) —
SCHEMBL4399105 0.79 TPSAB1 (0.38) LMNA
SCHEMBL7015619 0.78 NPC1 (0.41) POLBGAA
SCHEMBL4406579 0.78 NPC1 (0.41) POLBGAA
SCHEMBL4395889 0.77 BCL2 (0.39) TP53LMNA

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 CCR5 1122/4885TP53 4261/4885LMNA 2245/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 CCR5 1122/4885TP53 4261/4885LMNA 2245/4885

“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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