SCHEMBL3315053

SCHEMBL3315053

COc1cc(CN2C(=O)CC[C@H]2C(O[SiH](C)C)C(C)(C)C)c(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.35
HCRTR2 O43614 16/20 0.35
GYS1 P13807 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2347996 0.83 HCRTR1 (0.38) HCRTR1HCRTR2GYS1KDM4EALDH1A1
SCHEMBL2347999 0.83 HCRTR1 (0.38) HCRTR1HCRTR2GYS1KDM4EALDH1A1
SCHEMBL3315063 0.80 HCRTR1 (0.36) HCRTR1HCRTR2GYS1KDM4EALDH1A1
SCHEMBL3311912 0.80 GYS1 (0.39) HCRTR1HCRTR2GYS1KDM4EALDH1A1
SCHEMBL3311920 0.80 GYS1 (0.39) HCRTR1HCRTR2GYS1KDM4EALDH1A1
SCHEMBL3315057 0.80 HCRTR1 (0.36) HCRTR1HCRTR2GYS1KDM4EALDH1A1
SCHEMBL11949290 0.79 PDE4B (0.37) HCRTR1HCRTR2KDM4EALDH1A1GAA
SCHEMBL3314165 0.76 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL11949287 0.76 ALOX5AP (0.38) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2355432 0.73 GAA (0.39) KDM4EALDH1A1GAAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B HCRTR1 1471/4885HCRTR2 3341/4885GYS1 3878/4885

“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.