SCHEMBL3404996

SCHEMBL3404996

COc1ccc2cccc(CC(O)CO[Si](C)(C)C(C)(C)C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.45
MTNR1B P49286 14/20 0.45
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CYP2D6 P10635 1/20 0.31
HTR2C P28335 1/20 0.31
MCHR1 Q99705 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
SCHEMBL3410398 0.84 CYP1A2 (0.31)
SCHEMBL3782875 0.84 CYP1A2 (0.31)
SCHEMBL3427897 0.82 KCNH2 (0.36)
SCHEMBL1711997 0.81 MTNR1A (0.39) MTNR1AMTNR1BPRMT5WDR77MCHR1
SCHEMBL3410861 0.81 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL14837467 0.80 MTNR1A (0.52) MTNR1AMTNR1BPRMT5WDR77HTR2C
SCHEMBL7513104 0.76 IDO1 (0.41)
SCHEMBL4234297 0.76 IDO1 (0.46)
SCHEMBL1842385 0.73 KCNH2 (0.39)
SCHEMBL1712093 0.73 MTNR1A (0.31) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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 (1 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 MTNR1A 331/4885MTNR1B 1000/4885PRMT5 480/4885

“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.