SCHEMBL6081871

SCHEMBL6081871

CC(C)(C)[Si](C)(C)OC[C@H]1CCc2ccc3ncccc3c2O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.36
NFKB2 Q00653 8/20 0.36
RELA Q04206 8/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TOP2A P11388 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CNR2 P34972 1/20 0.31
SYK P43405 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL6081973 0.78 NFKB1 (0.40) NFKB1NFKB2RELAKDM4EMAPT
SCHEMBL6082388 0.78 NFKB1 (0.40) NFKB1NFKB2RELAKDM4EMAPT
SCHEMBL6081970 0.78 NFKB1 (0.40) NFKB1NFKB2RELAKDM4EMAPT
SCHEMBL6081251 0.77 ALDH1A1 (0.39) NFKB1NFKB2RELAMAPT
SCHEMBL6081826 0.77 ALDH1A1 (0.39) NFKB1NFKB2RELAMAPT
SCHEMBL6081254 0.77 ALDH1A1 (0.39) NFKB1NFKB2RELAMAPT
SCHEMBL6081873 0.71 KDM4E (0.33) KDM4EMAPT
SCHEMBL3289625 0.71 NFKB1 (0.42) NFKB1NFKB2RELAKDM4ETOP2A
SCHEMBL8313320 0.67 POLB (0.34) NFKB1NFKB2RELADRD2CYP1A2
SCHEMBL6083239 0.67 POLB (0.34) NFKB1NFKB2RELADRD2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030245-B2 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenathrene WYETH (US) 2006-04-18 US disclosed
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-10-13 US disclosed
US-6930109-B2 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-08-16 US disclosed
US-6903110-B2 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2005-06-07 US disclosed
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH 2004-11-25 US disclosed
US-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene WYETH (US) 2003-04-24 US disclosed
WO-2003010169-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7, 8-DIHYDRO-6H-5-OXA-1-AZA-PHENANTHRENE WYETH (US) 2003-02-06 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-20030078268-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 NFKB1 902/4885NFKB2 2525/4885RELA 2506/4885
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 NFKB1 816/4885NFKB2 2454/4885RELA 2383/4885
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene HTR5A, TPH1, CYP19A1 NFKB1 930/4885NFKB2 2534/4885RELA 2316/4885

“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.