SCHEMBL3308922

SCHEMBL3308922

O=C(O)CN1C(=O)CCc2cc(-c3cccc(F)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
CYP1A2 P05177 2/20 0.47
CES2 O00748 1/20 0.45
MET P08581 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
CHRM1 P11229 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
PER2 O15055 1/20 0.39

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
SCHEMBL3309801 0.89 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2METSMN1; SMN2
SCHEMBL10511865 0.86 CHRM1 (0.48) CES2CHRM1MEN1KMT2APTGDR2
SCHEMBL3307032 0.85 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2METSMN1; SMN2
SCHEMBL3310060 0.85 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2CES2MET
SCHEMBL3306622 0.85 CYP11B1 (0.46) CYP11B1CYP11B2CYP1A2METSMN1; SMN2
SCHEMBL3308368 0.83 KDM4E (0.45) CYP11B1CYP11B2CYP1A2CES2MET
SCHEMBL3308243 0.82 MAPT (0.52) CYP11B1CYP11B2CYP1A2HRH3
SCHEMBL3310040 0.82 HDAC1 (0.43) CYP11B1CYP11B2CYP1A2METPTGDR2
SCHEMBL3304919 0.82 CYP1A2 (0.41) CYP11B1CYP11B2CYP1A2METCHRM1
SCHEMBL3306413 0.81 KIF11 (0.44) CYP11B1CYP11B2CYP1A2METSMN1; SMN2

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 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.