SCHEMBL974713

SCHEMBL974713

CC(=O)ON1CCC(c2cc(CNC(=O)OC(C)(C)C)ccc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
GRM2 Q14416 1/20 0.38
TP53 P04637 1/20 0.37
ROCK2 O75116 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL52448 0.87 GRM2 (0.44) NAMPTGRM2GAAL3MBTL1BRD4
SCHEMBL27679076 0.84 DRD4 (0.39) NAMPTGRM2TP53ROCK2DRD2
SCHEMBL970934 0.82 ALDH1A1 (0.42) NAMPTGRM2GAAL3MBTL1BRD4
SCHEMBL973927 0.82 BRD4 (0.42) NAMPTBRD9BAZ2BBAZ2ATP53
Acetic Acid SCHEMBL974712 0.82 ALDH1A1 (0.40) NAMPTGRM2GAAL3MBTL1BRD4
Hydrochloric Acid SCHEMBL16564426 0.81 ALDH1A1 (0.41) NAMPTGRM2GAAL3MBTL1BRD4
SCHEMBL15780846 0.74 MEN1 (0.43) TP53GAAPOLB
SCHEMBL24999627 0.74 GRM2 (0.49) NAMPTGRM2GAAL3MBTL1
SCHEMBL29769069 0.74 GRM2 (0.49) NAMPTGRM2GAAL3MBTL1
SCHEMBL24619900 0.74 IGF1R (0.48) NAMPTGRM2GAAL3MBTL1BRD4

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
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US 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 NAMPT 560/4885BRD9 3335/4885BAZ2B 4538/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 NAMPT 560/4885BRD9 3335/4885BAZ2B 4538/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 NAMPT 560/4885BRD9 3335/4885BAZ2B 4538/4885

“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.