SCHEMBL6166244

SCHEMBL6166244

CC(C)(C)[Si](C)(C)C#CCCOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6167587 0.85 KDM4C (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30407540 0.82 KDM4C (0.37) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL21738201 0.82 MEN1 (0.42) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL12435177 0.80 MEN1 (0.39) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL6535753 0.78 KDM4C (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL9195356 0.78 MEN1 (0.40) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL10560537 0.78 MEN1 (0.41) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL6534702 0.77 KDM4C (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL23014968 0.77 MEN1 (0.43) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL23014844 0.77 MEN1 (0.43) KDM4CNPC1RAB9AMEN1KMT2A

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
US-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination THE TRUSTEES OF BOSTON COLLEGE (MA) 2021-11-02 US disclosed
US-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination THE TRUSTEES OF BOSTON COLLEGE (MA) 2021-11-02 US disclosed
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION TRUSTEES OF BOSTON COLLEGE (US) 2020-10-08 US disclosed
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION TRUSTEES OF BOSTON COLLEGE (US) 2020-10-08 US disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-11161827-B2 Catalytic systems for stereoselective synthesis of chiral amines by enantiodivergent radical C—H amination STS, SRM, SCLY KDM4C 596/4885NPC1 4671/4885RAB9A 3335/4885
US-20200317627-A1 CATALYTIC SYSTEMS FOR STEREOSELECTIVE SYNTHESIS OF CHIRAL AMINES BY ENANTIODIVERGENT RADICAL C-H AMINATION STS, SCLY, SRM KDM4C 673/4885NPC1 4643/4885RAB9A 3333/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 KDM4C 1086/4885NPC1 947/4885RAB9A 1379/4885

“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.