SCHEMBL3308636

SCHEMBL3308636

CC(C)(C)OC(=O)CN1C(=O)CCc2cc(-c3ccc(C(F)(F)F)c(F)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.45
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
CYP1A2 P05177 1/20 0.41
KIF11 P52732 3/20 0.40
MAPT P10636 1/20 0.39
ATAD2 Q6PL18 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CHRM1 P11229 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
SCHEMBL3306832 0.88 MET (0.47) METCYP11B1CYP11B2CYP1A2KIF11
SCHEMBL3306925 0.85 KIF11 (0.42) METCYP11B1CYP11B2CYP1A2KIF11
SCHEMBL3470514 0.84 MET (0.46) METCYP11B1CYP11B2CYP1A2MAPT
SCHEMBL14866024 0.83 MET (0.48) METCYP11B1CYP11B2CYP1A2MAPT
SCHEMBL3301564 0.81 MET (0.47) METCYP11B1CYP11B2CYP1A2MAPT
SCHEMBL3473348 0.79 MET (0.47) METCYP11B1CYP11B2CYP1A2MAPT
SCHEMBL4477991 0.78 ATAD2 (0.45) METMAPTATAD2HDAC6HDAC1
SCHEMBL3310478 0.77 MAPT (0.54) METMAPTATAD2HDAC6HDAC1
SCHEMBL3314291 0.76 BRD4 (0.42) METCYP11B1CYP11B2MAPT
SCHEMBL30393232 0.76 CYP11B1 (0.41) METCYP11B1CYP11B2CYP1A2KIF11

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-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US claimed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 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 (2 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 MET 3445/4885CYP11B1 1655/4885CYP11B2 1716/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E MET 3583/4885CYP11B1 1355/4885CYP11B2 1629/4885

“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.