SCHEMBL4396244

SCHEMBL4396244

CC(C)(C)OC(=O)N(Cc1ccc(CBr)c(Br)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
SSTR4 P31391 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
AKT1 P31749 1/20 0.35
AAK1 Q2M2I8 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
GLS O94925 1/20 0.31
RIPK1 Q13546 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL13234266 0.85 GRM2 (0.41) GRM2AKT1HDAC3HDAC1HDAC2
SCHEMBL4404733 0.85 GRM2 (0.39) GRM2SSTR4MTNR1AMTNR1BAKT1
SCHEMBL4406042 0.83 GRM2 (0.43) GRM2SSTR4AKT1HDAC3HDAC1
SCHEMBL19153416 0.81 AKT1 (0.43) GRM2SSTR4AKT1HDAC3HDAC1
SCHEMBL8635430 0.80 AKT1 (0.44) GRM2AKT1HDAC3HDAC1HDAC2
SCHEMBL24821303 0.80 GRM2 (0.39) GRM2AKT1HDAC3HDAC1HDAC2
SCHEMBL10229493 0.80 GRM2 (0.42) GRM2SSTR4AKT1HDAC3HDAC1
SCHEMBL18173003 0.77 AKT1 (0.43) GRM2SSTR4AKT1HDAC3HDAC1
SCHEMBL31490982 0.76 GRM2 (0.44) GRM2AKT1HDAC3HDAC1HDAC2
SCHEMBL4398498 0.76 RIPK1 (0.53) GRM2AKT1RIPK1

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 GRM2 2266/4885SSTR4 3700/4885MTNR1A 146/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 GRM2 2266/4885SSTR4 3700/4885MTNR1A 146/4885

“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.