SCHEMBL14552014

SCHEMBL14552014

CCCCc1oc2ccc(C)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.73
PGR P06401 1/20 0.73
CHRM2 P08172 1/20 0.73
HTR1A P08908 1/20 0.73
ADRA2A P08913 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
DRD1 P21728 1/20 0.73
TBXA2R P21731 1/20 0.73
SLC6A2 P23975 1/20 0.73
PDE4A P27815 1/20 0.73
SLC6A4 P31645 1/20 0.73
ADRA1A P35348 1/20 0.73
OPRM1 P35372 1/20 0.73
DRD3 P35462 1/20 0.73
SLC6A3 Q01959 1/20 0.73
KCNH2 Q12809 1/20 0.73
HRH3 Q9Y5N1 1/20 0.73
ABCB11 O95342 1/20 0.72
KCNA5 P22460 1/20 0.72

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
SCHEMBL17946258 0.97 ESR1 (0.70) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL4401350 0.93 ESR1 (0.64) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL14707711 0.93 KDM5A (0.63) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL15426058 0.92 ESR1 (0.63) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5225986 0.90 ESR1 (0.73) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL2564069 0.90 ESR1 (0.73) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5222962 0.89 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL2564123 0.89 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL31166519 0.89 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL31505225 0.89 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272606-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY OXIDATION OF A HYDROXYL GROUP SANOFI (FR) 2016-09-22 US disclosed
US-9382223-B2 Process for preparation of dronedarone by oxidation of a hydroxyl group SANOFI (FR) 2016-07-05 US disclosed
US-9249119-B2 Process for the preparation of dronedarone by oxidation of a sulphenyl group SANOFI (FR) 2016-02-02 US disclosed
US-9238636-B2 Process for preparation of dronedarone by Grignard reaction SANOFI (FR) 2016-01-19 US disclosed
US-20160009678-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY OXIDATION OF A HYDROXYL GROUP SANOFI (FR) 2016-01-14 US disclosed
US-20150274688-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY GRIGNARD REACTION SANOFI (FR) 2015-10-01 US disclosed
US-20150037410-A1 PHARMACEUTICAL COMPOSITIONS OF RANOLAZINE AND DRONEDARONE GILEAD SCIENCES, INC. (US) 2015-02-05 US disclosed
US-20150031902-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE BY OXIDATION OF A SULPHENYL GROUP SANOFI (FR) 2015-01-29 US disclosed
US-8927743-B2 Process for obtaining dronedarone LABORATORIOS LESVI, S.L. (ES) 2015-01-06 US disclosed
US-8796489-B2 Ketobenzofuran derivatives, method for synthesizing same, and intermediates SANOFI (FR) 2014-08-05 US disclosed
US-20130142849-A1 CONTROLLED RELEASE FORMULATIONS OF DRONEDARONE LUPIN LIMITED (IN) 2013-06-06 US disclosed
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
US-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-10 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 (8 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-20160009678-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY OXIDATION OF A HYDROXYL GROUP CYP2D6, CYP2B6, POR ESR1 4284/4885PGR 3657/4885CHRM2 3091/4885
US-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES NNMT, DHPS, NDUFC1 ESR1 4368/4885PGR 4356/4885CHRM2 2347/4885
US-20150037410-A1 PHARMACEUTICAL COMPOSITIONS OF RANOLAZINE AND DRONEDARONE RANBP1, SCN5A, CYP2D6 ESR1 4603/4885PGR 2234/4885CHRM2 1469/4885
US-20150031902-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE BY OXIDATION OF A SULPHENYL GROUP CYP3A4, POR, NOX4 ESR1 4390/4885PGR 4086/4885CHRM2 2823/4885
US-20130142849-A1 CONTROLLED RELEASE FORMULATIONS OF DRONEDARONE CYP2D6, CYP3A43, CYP2C9 ESR1 2415/4885PGR 1506/4885CHRM2 2041/4885
US-20150274688-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY GRIGNARD REACTION CYP3A4, CYP2C9, CYP4B1 ESR1 4446/4885PGR 2452/4885CHRM2 3247/4885
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 ESR1 3895/4885PGR 3820/4885CHRM2 3975/4885
US-20160272606-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY OXIDATION OF A HYDROXYL GROUP CYP2D6, CYP2B6, POR ESR1 4318/4885PGR 3529/4885CHRM2 3022/4885

“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.