SCHEMBL3310060

SCHEMBL3310060

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP1A2 P05177 1/20 0.44
MET P08581 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CHRM1 P11229 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CES2 O00748 1/20 0.38
HSD17B1 P14061 1/20 0.37

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
SCHEMBL3304919 0.89 CYP1A2 (0.41) CYP11B1CYP11B2CYP1A2METPTGDR2
SCHEMBL3310040 0.89 HDAC1 (0.43) CYP11B1CYP11B2CYP1A2METPTGDR2
SCHEMBL3309801 0.88 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2METPTGDR2
SCHEMBL3306925 0.87 KIF11 (0.42) CYP11B1CYP11B2CYP1A2METHDAC6
SCHEMBL3302747 0.86 HDAC1 (0.49) CYP11B1CYP11B2CYP1A2METPTGDR2
SCHEMBL3308922 0.85 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2METPTGDR2
SCHEMBL3306413 0.84 KIF11 (0.44) CYP11B1CYP11B2CYP1A2METHDAC1
SCHEMBL3309010 0.83 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2HDAC1HDAC8
SCHEMBL14865932 0.83 HTT (0.48) CYP11B1CYP11B2CYP1A2METATAD2
SCHEMBL3308368 0.83 KDM4E (0.45) CYP11B1CYP11B2CYP1A2METPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP11B1 1655/4885CYP11B2 1716/4885CYP1A2 2073/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E CYP11B1 1355/4885CYP11B2 1629/4885CYP1A2 1928/4885

“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.