SCHEMBL1792504

SCHEMBL1792504

C[Si](C)(C)CCOCn1ccnc1CNCc1nccn1COCC[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.35
ADRA2C P18825 1/20 0.32
FPR2 P25090 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3170401 0.93 DGAT1 (0.33) DGAT1ADRA2CFPR2
SCHEMBL5796460 0.89 DGAT1 (0.32) DGAT1FPR2
SCHEMBL14852930 0.86 ADRA2C (0.48) DGAT1ADRA2CFPR2
SCHEMBL6747810 0.85 FPR2 (0.37) DGAT1ADRA2CFPR2KMT2ANPSR1
SCHEMBL32681724 0.84 DGAT1 (0.36) DGAT1KMT2A
SCHEMBL2984964 0.83 DGAT1 (0.36) DGAT1
SCHEMBL1793474 0.83 DGAT1 (0.38) DGAT1
SCHEMBL2647731 0.83 DGAT1 (0.36) DGAT1
SCHEMBL1798387 0.82 FPR2 (0.33) FPR2MEN1KMT2ATDP1
SCHEMBL23366416 0.82 DGAT1 (0.35) DGAT1

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-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (2 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 DGAT1 3177/4885ADRA2C 1885/4885FPR2 200/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 DGAT1 3306/4885ADRA2C 1825/4885FPR2 209/4885

“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.