SCHEMBL4405550

SCHEMBL4405550

CC(C)(C)OC(=O)NCc1cccc(O)c1C1CCN(C(=O)c2cncc(CCc3ccccc3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ SIGMAR1 Q99720 3/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR2 P34972 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
SCHEMBL7016762 0.89 EGLN1 (0.42) EGLN1POLB
SCHEMBL7016765 0.80 MEN1 (0.38) LMNAEGLN1POLBSMN1; SMN2
SCHEMBL4399108 0.78 PARP1 (0.39) LMNA
SCHEMBL4406915 0.77 LMNA (0.38) LMNAEGLN1TP53POLBMAPT
SCHEMBL4401746 0.76 CCR5 (0.35) LMNAEGLN1TP53POLBMAPT
SCHEMBL4406858 0.74 TACR1 (0.43) NAMPTPOLBGAA
SCHEMBL4405554 0.73 POLB (0.39) LMNAEGLN1POLBMAPTTHRB
SCHEMBL15866724 0.72 ACHE (0.49) EGLN1CNR2
SCHEMBL7016532 0.72 SIGMAR1 (0.46) LMNASIGMAR1NAMPTTP53POLB
SCHEMBL31351013 0.71 MAOB (0.48) LMNATP53MAPTCNR2

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 2245/4885SIGMAR1 2651/4885EGLN1 742/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 LMNA 2245/4885SIGMAR1 2651/4885EGLN1 742/4885

“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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