SCHEMBL2880343

SCHEMBL2880343

CC(C)(C)C(CCNC(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL23459342 0.77
SCHEMBL19330417 0.76 CYP2D6 (0.42) CYP2D6CYP2C19
SCHEMBL2517596 0.74 MEN1 (0.35) MEN1GAAKMT2A
SCHEMBL20298105 0.73 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL14481608 0.73 CYP2D6 (0.32) CYP2D6CYP2C19MEN1GAAKMT2A
SCHEMBL30554097 0.72 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL18340836 0.72 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL18990458 0.72 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL2513464 0.72 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL15570802 0.72 CYP2D6 (0.36) CYP2D6CYP2C19

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-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 CYP2D6 57/4885CYP2C19 81/4885MEN1 3427/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB CYP2D6 585/4885CYP2C19 783/4885MEN1 1256/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 CYP2D6 57/4885CYP2C19 81/4885MEN1 3427/4885

“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.