SCHEMBL301585

SCHEMBL301585

CC(C)(C)OC(=O)NCc1cccc(C2CCN(C(=O)c3ccc(Br)o3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
F10 P00742 1/20 0.41
TPSAB1 Q15661 3/20 0.41
NAMPT P43490 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK8 P45983 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL12919536 0.90 F10 (0.41) ALDH1A1F10TPSAB1NAMPTTP53
SCHEMBL15788475 0.84 ALDH1A1 (0.46) ALDH1A1NAMPTCYP3A4CYP2D6KCNH2
SCHEMBL12919537 0.84 F10 (0.53) MEN1ALDH1A1KMT2AF10TPSAB1
SCHEMBL8348734 0.84 PDE4B (0.45) KMT2AF10TPSAB1KDM4E
SCHEMBL15866724 0.84 ACHE (0.49) TPSAB1KDM4E
SCHEMBL13830591 0.83 QDPR (0.45) TPSAB1NAMPTTP53
SCHEMBL13617101 0.83 ALDH1A1 (0.42) MEN1ALDH1A1KMT2AF10TPSAB1
SCHEMBL15788470 0.83 ALDH1A1 (0.49) MEN1ALDH1A1POLBKMT2ANAMPT
SCHEMBL14898046 0.82 NPC1L1 (0.44) TPSAB1NAMPT
SCHEMBL12801917 0.81 MGLL (0.50)

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851440-B2 2012-01-11 JP claimed
CN-101429194-B Process for the preparation of tryptase inhibitors AVENTIS PHARMACEUTICALS, INC. (US) 2011-12-14 CN claimed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP claimed
CN-101429194-A Process for the preparation of tryptase inhibitors AVENTIS PHARMA INC (US) 2009-05-13 CN claimed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US claimed
CN-1950362-A Preparation method of tryptase inhibitor AVENTIS PHARMA INC (US) 2007-04-18 CN claimed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP claimed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO claimed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US disclosed
CN-101429194-B Process for the preparation of tryptase inhibitors AVENTIS PHARMACEUTICALS, INC. (US) 2011-12-14 CN disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
CN-1950362-B Preparation method of tryptase inhibitor AVENTIS PHARMA INC 2010-08-04 CN disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
CN-1950362-A Preparation method of tryptase inhibitor AVENTIS PHARMA INC (US) 2007-04-18 CN disclosed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO disclosed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO disclosed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP 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 (3 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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 MEN1 222/4885ALDH1A1 1305/4885POLB 2695/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 MEN1 222/4885ALDH1A1 1305/4885POLB 2695/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 MEN1 222/4885ALDH1A1 1305/4885POLB 2695/4885

“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.