SCHEMBL2840916

SCHEMBL2840916

COC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)n1COCC[Si](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.53
F11 P03951 1/20 0.43
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
KDM4E B2RXH2 2/20 0.40
DGAT1 O75907 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RCE1 Q9Y256 1/20 0.37
NPC1 O15118 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL2846531 0.90 FAAH (0.43) FAAHF11KDM4EMEN1KMT2A
SCHEMBL2842517 0.80 HDAC6 (0.40) F11KDM4EDGAT1MEN1KMT2A
SCHEMBL9370452 0.79 FAAH (0.41) FAAHF11KDM4EDGAT1ALDH1A1
SCHEMBL9369648 0.77 FAAH (0.40) FAAH
SCHEMBL4069849 0.74 F11 (0.39) FAAHF11KDM4EDGAT1MEN1
SCHEMBL16497611 0.73 RAF1 (0.48) F11AKT1AKT2KDM4EMEN1
SCHEMBL4083512 0.73 F11 (0.42) F11KDM4EMEN1KMT2AALDH1A1
SCHEMBL9525207 0.73 MAPK14 (0.43) F11KDM4EALDH1A1NPC1
SCHEMBL38664648 0.72 SCN9A (0.39) F11
SCHEMBL20028658 0.72 F11 (0.41) FAAHF11AKT1AKT2KDM4E

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-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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 (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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A FAAH 2072/4885F11 909/4885AKT1 2675/4885

“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.