SCHEMBL6083239

SCHEMBL6083239

Cc1c(NC(=O)OC(C)(C)C)ccc2c1O[C@@H](CO[Si](C)(C)C(C)(C)C)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
BRD9 Q9H8M2 1/20 0.33
ELANE P08246 1/20 0.33
CTRB1 P17538 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RORC P51449 1/20 0.31
DRD2 P14416 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 2/20 0.31
BRD4 O60885 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
SCHEMBL8313320 1.00 POLB (0.34) POLBATMAAK1BRD9ELANE
SCHEMBL6081924 1.00 POLB (0.34) POLBATMAAK1BRD9ELANE
SCHEMBL6081853 0.85 AAK1 (0.30) AAK1
SCHEMBL6081991 0.85 AAK1 (0.30) AAK1
SCHEMBL8317430 0.77 CYP4F2 (0.44) ALDH1A1NFKB1NFKB2RELACYP1A2
SCHEMBL8318115 0.73 ELANE (0.32) BRD9ELANECTRB1LMNANPSR1
SCHEMBL6083248 0.73 ELANE (0.32) BRD9ELANECTRB1LMNANPSR1
SCHEMBL6081926 0.73 ELANE (0.32) BRD9ELANECTRB1LMNANPSR1
SCHEMBL8313324 0.72 ELANE (0.33) AAK1ELANECTRB1
SCHEMBL6082596 0.72

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 POLB 299/4885ATM 1033/4885AAK1 2332/4885
US-20040235851-A1 Antidepressant azaheterocyclyl methyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene TPH1, CYP19A1, HSD3B1 POLB 266/4885ATM 948/4885AAK1 2258/4885
US-20050228010-A1 Antidepressant azahetorocyclylmethyl derivatives of 7,8-dihydro-6H-5-oxa-1-aza-phenanthrene HTR5A, TPH1, CYP19A1 POLB 267/4885ATM 696/4885AAK1 2531/4885

“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.