SCHEMBL4399112

SCHEMBL4399112

CCc1ncccc1C(=O)N1CCC(c2cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)CC1.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
TPSAB1 Q15661 10/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 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
SCHEMBL4405967 0.88 AOC3 (0.38) AOC3TPSAB1POLBTP53F10
Hydrochloric Acid SCHEMBL4404473 0.82 TPSAB1 (0.54) TPSAB1CYP3A4CYP2D6KCNH2F10
SCHEMBL4399213 0.82 TPSAB1 (0.41) TPSAB1
SCHEMBL4404682 0.78 TPSAB1 (0.42) TPSAB1
SCHEMBL4406792 0.78 JAK2 (0.41) TPSAB1POLB
SCHEMBL4405554 0.77 POLB (0.39) POLBCYP2C19
SCHEMBL7026398 0.76 TPSAB1 (0.39) TPSAB1CYP2C19
Hydrochloric Acid SCHEMBL4405348 0.76 TPSAB1 (0.38) TPSAB1CYP2C19
SCHEMBL7025355 0.76 TPSAB1 (0.44) TPSAB1CYP3A4CYP2D6KCNH2F10
Hydrochloric Acid SCHEMBL6491184 0.75 TPSAB1 (0.43) AOC3TPSAB1CYP3A4CYP2D6KCNH2

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 AOC3 454/4885TPSAB1 4/4885POLB 3914/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 AOC3 454/4885TPSAB1 4/4885POLB 3914/4885

“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.