SCHEMBL3513367

SCHEMBL3513367

C[Si](C)(C)CCOc1nccc(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
RXRB P28702 2/20 0.31
MAPK8 P45983 2/20 0.31
RXRG P48443 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SCN9A Q15858 1/20 0.30
SSTR5 P35346 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL6223037 0.81 TSHR (0.38) RXRAGRIN1GRIN2B
SCHEMBL6918342 0.80 MAPK8 (0.45) RXRAGRIN1GRIN2BMAPK8
SCHEMBL22576627 0.80 SMN1; SMN2 (0.41) RXRAGRIN1GRIN2BMAPK8
SCHEMBL4582943 0.79 RECQL (0.37) RXRAGRIN1GRIN2BRXRBMAPK8
SCHEMBL7029492 0.79 POLB (0.42) RXRAGRIN1GRIN2BMAPK8SSTR5
SCHEMBL12678476 0.76 RXRA (0.33) RXRAGRIN1GRIN2B
SCHEMBL22799650 0.75 KDM4E (0.33) RXRAGRIN1GRIN2B
SCHEMBL18689558 0.75 RXRA (0.37) RXRARXRBRXRG
SCHEMBL8958798 0.75 SCN9A (0.33) RXRAGRIN1GRIN2BSCN9A
SCHEMBL937563 0.74 NUDT1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073651-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-13 US disclosed
EP-2678317-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-01-01 EP disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
WO-2012114268-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-6369040-B1 INCORPORATING A COMPLEMENTARY SEQUENCES FOR HERPES, PAPILLOMA AND OTHER VIRUSES ISIS PHARMACEUTICALS, INC. 2002-04-09 US disclosed
US-6060592-A Pyrimidine nucleoside compounds and oligonucleoside compounds containing same ISIS PHARMACEUTICALS, INC. (US) 2000-05-09 US disclosed
US-5459243-A Apparatus and processes for the large scale generation and transfer of diazomethane ISIS PHARMACEUTICALS, INC. (US) 1995-10-17 US disclosed
WO-1995024185-A1 NOVEL PYRIMIDINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-09-14 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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 RXRA 3172/4885GRIN1 1912/4885GRIN2B 3632/4885
US-20140073651-A1 BENZAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX3, P2RX7, P2RX1 RXRA 577/4885GRIN1 704/4885GRIN2B 546/4885

“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.