SCHEMBL4968205

SCHEMBL4968205

CN(C)CCCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
BCHE P06276 2/20 0.57
ACHE P22303 2/20 0.57
HRH3 Q9Y5N1 2/20 0.56
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
CACNA1B Q00975 3/20 0.54
LSS P48449 1/20 0.54
CACNA1H O95180 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5681601 0.92 HRH3 (0.56) ALDH1A1KDM4EBCHEACHEHRH3
SCHEMBL6057567 0.86 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2BCHEACHE
SCHEMBL14287626 0.85 L3MBTL1 (0.73) ALDH1A1KDM4ESMN1; SMN2BCHEACHE
SCHEMBL4966805 0.85 TP53 (0.63) ALDH1A1KDM4ESMN1; SMN2BCHEACHE
SCHEMBL14329438 0.84 THRA (0.53) BCHETHRATHRBLSS
SCHEMBL5424873 0.84 HRH3 (0.61) KDM4EBCHEACHEHRH3
SCHEMBL6630485 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2BCHEACHE
Hydrochloric Acid SCHEMBL11673412 0.83 HRH3 (0.60) KDM4EBCHEACHEHRH3
SCHEMBL321662 0.83 THRA (0.64) BCHEACHETHRATHRBGAA
SCHEMBL162987 0.82 TP53 (0.64) ALDH1A1SMN1; SMN2GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708281-B2 Process for preparation of dronedarone by the use of dibutylaminopropanol reagent SANOFI (FR) 2017-07-18 US disclosed
US-9701654-B2 Process for preparation of dronedarone by removal of hydroxyl group SANOFI (FR) 2017-07-11 US disclosed
US-9611242-B2 Process for preparation of dronedarone by N-butylation SANOFI (FR) 2017-04-04 US disclosed
US-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP SANOFI (FR) 2016-03-17 US disclosed
US-20160075673-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY THE USE OF DIBUTYLAMINOPROPANOL REAGENT SANOFI (FR) 2016-03-17 US disclosed
US-20160009679-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION SANOFI (FR) 2016-01-14 US disclosed
US-9221778-B2 Process for preparation of dronedarone by removal of hydroxyl group SANOFI (FR) 2015-12-29 US disclosed
US-9221777-B2 Process for preparation of dronedarone by the use of dibutylaminopropanol reagent SANOFI (FR) 2015-12-29 US disclosed
US-9193703-B2 Process for preparation of dronedarone by mesylation SANOFI (FR) 2015-11-24 US disclosed
US-9174959-B2 Process for preparation of dronedarone by N-butylation SANOFI (FR) 2015-11-03 US disclosed
US-9024046-B2 Reductive amination process for preparation of dronedarone using amine intermediary compound SANOFI (FR) 2015-05-05 US disclosed
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP SANOFI (FR) 2015-01-01 US disclosed
US-20140114081-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION SANOFI (FR) 2014-04-24 US disclosed
US-20140081035-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY MESYLATION SANOFI (FR) 2014-03-20 US disclosed
US-20140018554-A1 REDUCTIVE AMINATION PROCESS FOR PREPARATION OF DRONEDARONE USING AMINE INTERMEDIARY COMPOUND SANOFI (FR) 2014-01-16 US disclosed
US-20080261975-A1 Tec Kinase Inhibitors BENTZIEN JOERG MARTIN 2008-10-23 US disclosed
EP-1957491-A2 PYRROLO (2,3-B) PYRIDINE DERIVATIVES USEFUL AS TEC KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-20 EP disclosed
WO-2007058832-A2 PYRROLO (2, 3-B) PYRIDINE DERIVATIVES USEFUL AS TEC KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-24 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 (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-20140114081-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION CYP3A43, CYP3A4, CYP2D6 ALDH1A1 746/4885KDM4E 799/4885SMN1; SMN2 2365/4885
US-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, CYP3A43, CYP7A1 ALDH1A1 352/4885KDM4E 594/4885SMN1; SMN2 3883/4885
US-20080261975-A1 Tec Kinase Inhibitors TEC, ITK, LCK ALDH1A1 3858/4885KDM4E 1478/4885SMN1; SMN2 4558/4885
US-20160075673-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY THE USE OF DIBUTYLAMINOPROPANOL REAGENT DHCR7, CYP3A43, CYP7A1 ALDH1A1 415/4885KDM4E 1533/4885SMN1; SMN2 4318/4885
US-20140018554-A1 REDUCTIVE AMINATION PROCESS FOR PREPARATION OF DRONEDARONE USING AMINE INTERMEDIARY COMPOUND CYP2D6, CYP2B6, CYP11B2 ALDH1A1 89/4885KDM4E 1145/4885SMN1; SMN2 3756/4885
US-20160009679-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION CYP3A43, CYP3A4, CYP2D6 ALDH1A1 746/4885KDM4E 799/4885SMN1; SMN2 2365/4885
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, DHCR7, CYP3A4 ALDH1A1 375/4885KDM4E 405/4885SMN1; SMN2 3810/4885
US-20140081035-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY MESYLATION CYP2B6, CYP2D6, CYP7A1 ALDH1A1 407/4885KDM4E 1768/4885SMN1; SMN2 2556/4885

“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.