SCHEMBL4404850

SCHEMBL4404850

CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.Cc1cccc(C2CCN(C(=O)c3cccc(N(Cc4cccc(C#N)c4)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
FASN P49327 7/20 0.38
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGES O14684 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC9A1 P19634 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT3 P40763 1/20 0.35
DRD2 P14416 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
SCHEMBL4396166 0.92 FASN (0.37) LMNACHRM2CHRM1CHRM3FASN
SCHEMBL4403355 0.91 LMNA (0.41) LMNACHRM2CHRM1CHRM3STAT3
SCHEMBL4404848 0.88 LMNA (0.41) LMNACHRM2CHRM1CHRM3FASN
SCHEMBL4406877 0.87 LMNA (0.39) LMNASTAT3DRD2
SCHEMBL4402058 0.87 LMNA (0.40) LMNACHRM2CHRM1CHRM3STAT3
SCHEMBL4398657 0.87 LMNA (0.49) LMNASTAT3DRD2
SCHEMBL4402040 0.86 LMNA (0.44) LMNA
SCHEMBL4406784 0.83 LMNA (0.43) LMNADRD2
SCHEMBL4412037 0.82 LMNA (0.38) LMNADRD2
SCHEMBL4405328 0.80 TRPV6 (0.39) LMNACCR5

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 4 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

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 2245/4885CHRM2 425/4885CHRM1 603/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 LMNA 2245/4885CHRM2 425/4885CHRM1 603/4885

“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.