SCHEMBL973852

SCHEMBL973852

C[Si]1(C)CC[Si](C)(C)N1Cc1cccc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
SIGMAR1 Q99720 9/20 0.39
FAAH O00519 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
RAB9A P51151 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2A P28223 1/20 0.36
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL12919538 0.81 POLB (0.47) IDO1
SCHEMBL23894563 0.79 CYP11B1 (0.44) SIGMAR1
SCHEMBL302475 0.79 SMN1; SMN2 (0.51) IDO1SIGMAR1FAAH
SCHEMBL13950383 0.77 SIGMAR1 (0.46) SIGMAR1
SCHEMBL2225221 0.69 PRMT6 (0.62) SIGMAR1FAAHCYP2D6CYP2C19HIF1A
SCHEMBL3720580 0.69 MC4R (0.62) SIGMAR1FAAHRAB9AHTR2A
SCHEMBL13382006 0.69 ALDH1A1 (0.59) SIGMAR1FAAHRAB9AHTR2A
SCHEMBL26149604 0.68 SMN1; SMN2 (0.64) SIGMAR1FAAHCYP2D6CYP2C19HIF1A
SCHEMBL20312976 0.67 KDM4E (0.43) RAB9AHTR2A
SCHEMBL30799139 0.67 KMT2A (0.39) IDO1SIGMAR1FAAHCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP claimed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US claimed
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
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 IDO1 72/4885SIGMAR1 3333/4885FAAH 243/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 IDO1 72/4885SIGMAR1 3333/4885FAAH 243/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 IDO1 72/4885SIGMAR1 3333/4885FAAH 243/4885

“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.