SCHEMBL1805737

SCHEMBL1805737

COc1cccc(-c2ccc3c(c2)C(=O)NC[C@H]2CN(C)C[C@H]32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
CHEK1 O14757 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
GRM2 Q14416 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
BACE1 P56817 2/20 0.38
KDM1A O60341 4/20 0.38
KDM1B Q8NB78 2/20 0.38
PAX8 Q06710 1/20 0.37
PGR P06401 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PRKCA P17252 1/20 0.37
GSK3B P49841 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PRKCQ Q04759 1/20 0.37
GAA P10253 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
SCHEMBL1802442 1.00 BRD4 (0.43) BRD4CHEK1EDNRBEDNRAGRM2
SCHEMBL14889337 0.91 HRH3 (0.40) EDNRBEDNRAMAPKAPK2BACE1HDAC4
SCHEMBL860760 0.91 HRH3 (0.40) EDNRBEDNRAMAPKAPK2BACE1HDAC4
SCHEMBL2599150 0.91 HRH3 (0.40) EDNRBEDNRAMAPKAPK2BACE1HDAC4
SCHEMBL2599151 0.91 HRH3 (0.40) EDNRBEDNRAMAPKAPK2BACE1HDAC4
SCHEMBL860759 0.91 HRH3 (0.40) EDNRBEDNRAMAPKAPK2BACE1HDAC4
SCHEMBL1807127 0.89 RYR2 (0.40) BRD4MAPKAPK2GAA
SCHEMBL2598921 0.89 RYR2 (0.40) BRD4MAPKAPK2GAA
SCHEMBL1807130 0.89 RYR2 (0.40) BRD4MAPKAPK2GAA
SCHEMBL2598925 0.89 RYR2 (0.40) BRD4MAPKAPK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US claimed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US claimed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US claimed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP claimed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP claimed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 US claimed
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 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 (4 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C BRD4 2085/4885CHEK1 3122/4885EDNRB 69/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C BRD4 2085/4885CHEK1 3122/4885EDNRB 69/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C BRD4 2085/4885CHEK1 3122/4885EDNRB 69/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C BRD4 2085/4885CHEK1 3122/4885EDNRB 69/4885

“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.