SCHEMBL970932

SCHEMBL970932

CC(C)(C)OC(=O)C(N)c1ccc(F)c(C2CCNCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
SLC6A2 P23975 8/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 8/20 0.37
HTR1A P08908 2/20 0.37
HTR6 P50406 4/20 0.34
DPP4 P27487 1/20 0.33
HTR2C P28335 1/20 0.33
PLAT P00750 1/20 0.33
PARP1 P09874 1/20 0.33

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
Acetic Acid SCHEMBL974711 0.97 APP (0.36) APPSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27893595 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL27679114 0.79 HTR2C (0.45) HTR6HTR2CPARP1
SCHEMBL27878879 0.73 HSD17B10 (0.45) APPSLC6A2SLC6A4
SCHEMBL970934 0.72 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3HTR1AHTR6
Hydrochloric Acid SCHEMBL16564426 0.71 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL6629348 0.71 APP (0.42) APPSLC6A2SLC6A4DPP4
SCHEMBL7771602 0.70 SMYD3 (0.42)
SCHEMBL27472748 0.70 HSD17B10 (0.45) APPSLC6A2SLC6A4
Acetic Acid SCHEMBL974712 0.70 ALDH1A1 (0.40) HTR6HTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1950362-B Preparation method of tryptase inhibitor AVENTIS PHARMA INC 2010-08-04 CN disclosed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP disclosed
CN-101429194-A Process for the preparation of tryptase inhibitors AVENTIS PHARMA INC (US) 2009-05-13 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

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 APP 692/4885SLC6A2 344/4885SLC6A4 274/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 APP 692/4885SLC6A2 344/4885SLC6A4 274/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 APP 692/4885SLC6A2 344/4885SLC6A4 274/4885

“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.